1-heptyl-2-[(E,3E)-3-(1-heptyl-5-isocyano-3,3-dimethyl-indol-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium-5-carbonitrile

Systemtic Name: 1-heptyl-2-[(E,3E)-3-(1-heptyl-5-isocyano-3,3-dimethyl-indol-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium-5-carbonitrile Openeye Name: 1-heptyl-2-[(E,3E)-3-(1-heptyl-5-isocyano-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium-5-carbonitrile CAS Name: 1-heptyl-2-[(E,3E)-3-(1-heptyl-5-isocyano-3,3-dimethyl-2-indolylidene)prop-1-enyl]-3,3-dimethyl-5-indol-1-iumcarbonitrile IUPAC Name: 1-heptyl-2-[(E,3E)-3-(1-heptyl-5-isocyano-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-5-carbonitrile Traditional Name: 1-heptyl-2-[(E,3E)-3-(1-heptyl-5-isocyano-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3,3-dimethyl-indol-1-ium-5-carbonitrile Formula: C39H51N4+ MolecularWeight: 575.84904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C=C(C=C2)[N+]#[C-])C(C1=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)C#N)CCCCCCC)(C)C

Isomeric SMILES

CCCCCCCN\1C2=C(C=C(C=C2)[N+]#[C-])C(/C1=C\C=C\C3=[N+](C4=C(C3(C)C)C=C(C=C4)C#N)CCCCCCC)(C)C

InChI

InChI=1S/C39H51N4/c1-8-10-12-14-16-25-42-34-23-21-30(29-40)27-32(34)38(3,4)36(42)19-18-20-37-39(5,6)33-28-31(41-7)22-24-35(33)43(37)26-17-15-13-11-9-2/h18-24,27-28H,8-17,25-26H2,1-6H3/q+1