1-(2,3-dihydroindol-1-yl)-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]propan-1-one

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]propan-1-one Openeye Name: 1-indolin-1-yl-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]propan-1-one CAS Name: 1-(2,3-dihydroindol-1-yl)-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1-propanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]propan-1-one Traditional Name: 1-indolin-1-yl-3-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)propan-1-one Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)CCC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)CCC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C24H31N3O2/c1-29-22-9-7-20(8-10-22)19-26-14-4-13-25(17-18-26)15-12-24(28)27-16-11-21-5-2-3-6-23(21)27/h2-3,5-10H,4,11-19H2,1H3/p+1