4-[(3-methoxyphenyl)methyl]-1-[(1-methylindol-3-yl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-1-[(1-methylindol-3-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(3-methoxyphenyl)methyl]-1-[(1-methylindol-3-yl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(1-methyl-3-indolyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-methoxyphenyl)methyl]-1-[(1-methylindol-3-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-m-anisyl-1-[(1-methylindol-3-yl)methyl]-1,4-diazepan-1-ium-5-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CCC(=O)N(CC3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3CCC(=O)N(CC3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C23H27N3O2/c1-24-16-19(21-8-3-4-9-22(21)24)17-25-11-10-23(27)26(13-12-25)15-18-6-5-7-20(14-18)28-2/h3-9,14,16H,10-13,15,17H2,1-2H3/p+1