3-(1H-indol-3-yl)-1-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(1H-indol-3-yl)-1-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1,4-diazepan-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one CAS Name: 3-(1H-indol-3-yl)-1-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-1-propanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Traditional Name: 1-(4-benzyl-1,4-diazepan-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)CCC2=CNC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)CCC2=CNC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O/c27-23(12-11-20-17-24-22-10-5-4-9-21(20)22)26-14-6-13-25(15-16-26)18-19-7-2-1-3-8-19/h1-5,7-10,17,24H,6,11-16,18H2/p+1