1-(4-ethylphenyl)-3-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium

Systemtic Name: 1-(4-ethylphenyl)-3-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium Openeye Name: 1-(4-ethylphenyl)-3-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium CAS Name: 1-(4-ethylphenyl)-3-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium IUPAC Name: 1-(4-ethylphenyl)-3-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium Traditional Name: 1-(4-ethylphenyl)-3-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-4-ium Formula: C28H29N2+ MolecularWeight: 393.54326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=C([N+]3=C2CCCCC3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=C([N+]3=C2CCCCC3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N2/c1-2-22-12-18-26(19-13-22)30-21-27(29-20-8-4-7-11-28(29)30)25-16-14-24(15-17-25)23-9-5-3-6-10-23/h3,5-6,9-10,12-19,21H,2,4,7-8,11,20H2,1H3/q+1