1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-4-methyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-4-methyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(1R)-3-(1H-indol-3-yl)-1-methyl-propyl]-4-methyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-4-methyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2R)-4-(1H-indol-3-yl)butan-2-yl]-4-methyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(1R)-3-(1H-indol-3-yl)-1-methyl-propyl]-4-methyl-1,4-diazepan-1-ium-5-one Formula: C18H26N3O+ MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CNC2=CC=CC=C21)[NH+]3CCC(=O)N(CC3)C

Isomeric SMILES

C[C@H](CCC1=CNC2=CC=CC=C21)[NH+]3CCC(=O)N(CC3)C

InChI

InChI=1S/C18H25N3O/c1-14(21-10-9-18(22)20(2)11-12-21)7-8-15-13-19-17-6-4-3-5-16(15)17/h3-6,13-14,19H,7-12H2,1-2H3/p+1/t14-/m1/s1