2-butyl-1,3-dimethyl-6-[(E)-(1-methylquinolin-4-ylidene)methyl]cyclohepta[c]pyrrol-2-ium

Systemtic Name: 2-butyl-1,3-dimethyl-6-[(E)-(1-methylquinolin-4-ylidene)methyl]cyclohepta[c]pyrrol-2-ium Openeye Name: 2-butyl-1,3-dimethyl-6-[(E)-(1-methyl-4-quinolylidene)methyl]cyclohepta[c]pyrrol-2-ium CAS Name: 2-butyl-1,3-dimethyl-6-[(E)-(1-methyl-4-quinolinylidene)methyl]cyclohepta[c]pyrrol-2-ium IUPAC Name: 2-butyl-1,3-dimethyl-6-[(E)-(1-methylquinolin-4-ylidene)methyl]cyclohepta[c]pyrrol-2-ium Traditional Name: 2-butyl-1,3-dimethyl-6-[(E)-(1-methyl-4-quinolylidene)methyl]cyclohepta[c]pyrrol-2-ium Formula: C26H29N2+ MolecularWeight: 369.52186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C2=CC=C(C=CC2=C1C)C=C3C=CN(C4=CC=CC=C34)C)C

Isomeric SMILES

CCCC[N+]1=C(C2=CC=C(C=CC2=C1C)/C=C/3\C=CN(C4=CC=CC=C34)C)C

InChI

InChI=1S/C26H29N2/c1-5-6-16-28-19(2)23-13-11-21(12-14-24(23)20(28)3)18-22-15-17-27(4)26-10-8-7-9-25(22)26/h7-15,17-18H,5-6,16H2,1-4H3/q+1