[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methyl-phenyl-propyl-azanium

Systemtic Name: [(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methyl-phenyl-propyl-azanium Openeye Name: [(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methyl-phenyl-propyl-ammonium CAS Name: [(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methyl-phenyl-propylammonium IUPAC Name: [(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methyl-phenyl-propylazanium Traditional Name: [(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methyl-phenyl-propyl-ammonium Formula: C27H30NO+ MolecularWeight: 384.5332

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(CCC=C1C2=CC=CC=C2COC3=CC=CC=C31)C4=CC=CC=C4

Isomeric SMILES

CCC[N+](C)(CC/C=C\1/C2=CC=CC=C2COC3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C27H30NO/c1-3-19-28(2,23-13-5-4-6-14-23)20-11-17-25-24-15-8-7-12-22(24)21-29-27-18-10-9-16-26(25)27/h4-10,12-18H,3,11,19-21H2,1-2H3/q+1/b25-17-