(4-ethylpiperazin-4-ium-1-yl)-(6-phenyl-2-pyrrolidin-1-yl-pyridin-1-ium-3-yl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(6-phenyl-2-pyrrolidin-1-yl-pyridin-1-ium-3-yl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(6-phenyl-2-pyrrolidin-1-yl-pyridin-1-ium-3-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[6-phenyl-2-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(6-phenyl-2-pyrrolidin-1-ylpyridin-1-ium-3-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(6-phenyl-2-pyrrolidino-pyridin-1-ium-3-yl)methanone Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C([NH+]=C(C=C2)C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C([NH+]=C(C=C2)C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C22H28N4O/c1-2-24-14-16-26(17-15-24)22(27)19-10-11-20(18-8-4-3-5-9-18)23-21(19)25-12-6-7-13-25/h3-5,8-11H,2,6-7,12-17H2,1H3/p+2