sodium 6-[2-[(E,3Z)-3-(7-hexyl-3,3-dimethyl-pyrrolo[2,3-b]pyridin-2-ylidene)prop-1-enyl]-3,3-dimethyl-pyrrolo[2,3-b]pyridin-7-ium-7-yl]hexanoate

Systemtic Name: sodium 6-[2-[(E,3Z)-3-(7-hexyl-3,3-dimethyl-pyrrolo[2,3-b]pyridin-2-ylidene)prop-1-enyl]-3,3-dimethyl-pyrrolo[2,3-b]pyridin-7-ium-7-yl]hexanoate Openeye Name: sodium 6-[2-[(E,3Z)-3-(7-hexyl-3,3-dimethyl-pyrrolo[2,3-b]pyridin-2-ylidene)prop-1-enyl]-3,3-dimethyl-pyrrolo[2,3-b]pyridin-7-ium-7-yl]hexanoate CAS Name: sodium 6-[2-[(E,3Z)-3-(7-hexyl-3,3-dimethyl-2-pyrrolo[2,3-b]pyridinylidene)prop-1-enyl]-3,3-dimethyl-7-pyrrolo[2,3-b]pyridin-7-iumyl]hexanoate IUPAC Name: sodium 6-[2-[(E,3Z)-3-(7-hexyl-3,3-dimethylpyrrolo[2,3-b]pyridin-2-ylidene)prop-1-enyl]-3,3-dimethylpyrrolo[2,3-b]pyridin-7-ium-7-yl]hexanoate Traditional Name: sodium 6-[2-[(E,3Z)-3-(7-hexyl-3,3-dimethyl-pyrrolo[2,3-b]pyridin-2-ylidene)prop-1-enyl]-3,3-dimethyl-pyrrolo[2,3-b]pyridin-7-ium-7-yl]hexanoate Formula: C33H44N4NaO2+ MolecularWeight: 551.71783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=CC=C2C1=NC(=CC=CC3=NC4=C(C3(C)C)C=CC=[N+]4CCCCCC(=O)[O-])C2(C)C.[Na+]

Isomeric SMILES

CCCCCCN1C=CC=C2C1=N/C(=C\C=C\C3=NC4=C(C3(C)C)C=CC=[N+]4CCCCCC(=O)[O-])/C2(C)C.[Na+]

InChI

InChI=1S/C33H44N4O2.Na/c1-6-7-8-11-21-36-23-14-16-25-30(36)34-27(32(25,2)3)18-13-19-28-33(4,5)26-17-15-24-37(31(26)35-28)22-12-9-10-20-29(38)39;/h13-19,23-24H,6-12,20-22H2,1-5H3;/q;+1