(4-methyl-3-pyrrol-1-yl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (4-methyl-3-pyrrol-1-yl-phenyl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(4-methyl-3-pyrrol-1-yl-phenyl)methanone CAS Name: [4-methyl-3-(1-pyrrolyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(4-methyl-3-pyrrol-1-ylphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(4-methyl-3-pyrrol-1-yl-phenyl)methanone Formula: C24H28N3O+ MolecularWeight: 374.49862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C24H27N3O/c1-20-10-11-22(18-23(20)26-13-5-6-14-26)24(28)27-15-7-12-25(16-17-27)19-21-8-3-2-4-9-21/h2-6,8-11,13-14,18H,7,12,15-17,19H2,1H3/p+1