1-butyl-2-[(E,3E)-3-(3,3-dimethyl-5-nitro-1-pentyl-indol-2-ylidene)prop-1-enyl]quinolin-1-ium

Systemtic Name: 1-butyl-2-[(E,3E)-3-(3,3-dimethyl-5-nitro-1-pentyl-indol-2-ylidene)prop-1-enyl]quinolin-1-ium Openeye Name: 1-butyl-2-[(E,3E)-3-(3,3-dimethyl-5-nitro-1-pentyl-indolin-2-ylidene)prop-1-enyl]quinolin-1-ium CAS Name: 1-butyl-2-[(E,3E)-3-(3,3-dimethyl-5-nitro-1-pentyl-2-indolylidene)prop-1-enyl]quinolin-1-ium IUPAC Name: 1-butyl-2-[(E,3E)-3-(3,3-dimethyl-5-nitro-1-pentylindol-2-ylidene)prop-1-enyl]quinolin-1-ium Traditional Name: 2-[(E,3E)-3-(1-amyl-3,3-dimethyl-5-nitro-indolin-2-ylidene)prop-1-enyl]-1-butyl-quinolin-1-ium Formula: C31H38N3O2+ MolecularWeight: 484.65232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(C1=CC=CC3=[N+](C4=CC=CC=C4C=C3)CCCC)(C)C

Isomeric SMILES

CCCCCN\1C2=C(C=C(C=C2)[N+](=O)[O-])C(/C1=C\C=C\C3=[N+](C4=CC=CC=C4C=C3)CCCC)(C)C

InChI

InChI=1S/C31H38N3O2/c1-5-7-11-22-33-29-20-19-26(34(35)36)23-27(29)31(3,4)30(33)16-12-14-25-18-17-24-13-9-10-15-28(24)32(25)21-8-6-2/h9-10,12-20,23H,5-8,11,21-22H2,1-4H3/q+1