(6R)-1-cyclohexyl-4-[(1-methylindol-3-yl)methyl]-6-oxidanyl-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-1-cyclohexyl-4-[(1-methylindol-3-yl)methyl]-6-oxidanyl-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-6-hydroxy-4-[(1-methylindol-3-yl)methyl]-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-6-hydroxy-4-[(1-methyl-3-indolyl)methyl]-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-6-hydroxy-4-[(1-methylindol-3-yl)methyl]-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-6-hydroxy-4-[(1-methylindol-3-yl)methyl]-1,4-diazepan-4-ium-2-one Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CC(CN(C(=O)C3)C4CCCCC4)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3C[C@@H](CN(C(=O)C3)C4CCCCC4)O

InChI

InChI=1S/C21H29N3O2/c1-22-11-16(19-9-5-6-10-20(19)22)12-23-13-18(25)14-24(21(26)15-23)17-7-3-2-4-8-17/h5-6,9-11,17-18,25H,2-4,7-8,12-15H2,1H3/p+1/t18-/m0/s1