(5R)-5-[(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)carbonyl]-1-[(3-methoxyphenyl)methyl]piperidin-2-one

Systemtic Name: (5R)-5-[(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)carbonyl]-1-[(3-methoxyphenyl)methyl]piperidin-2-one Openeye Name: (5R)-5-(4-cyclopentyl-1,4-diazepan-4-ium-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one CAS Name: (5R)-5-[(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-1-[(3-methoxyphenyl)methyl]-2-piperidinone IUPAC Name: (5R)-5-(4-cyclopentyl-1,4-diazepan-4-ium-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one Traditional Name: (5R)-5-(4-cyclopentyl-1,4-diazepan-4-ium-1-carbonyl)-1-m-anisyl-2-piperidone Formula: C24H36N3O3+ MolecularWeight: 414.56094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC(CCC2=O)C(=O)N3CCC[NH+](CC3)C4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CN2C[C@@H](CCC2=O)C(=O)N3CCC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C24H35N3O3/c1-30-22-9-4-6-19(16-22)17-27-18-20(10-11-23(27)28)24(29)26-13-5-12-25(14-15-26)21-7-2-3-8-21/h4,6,9,16,20-21H,2-3,5,7-8,10-15,17-18H2,1H3/p+1/t20-/m1/s1