(5S)-1-cyclopropyl-5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]piperidin-2-one

Systemtic Name: (5S)-1-cyclopropyl-5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]piperidin-2-one Openeye Name: (5S)-1-cyclopropyl-5-[4-(3-pyridylmethyl)-1,4-diazepan-4-ium-1-carbonyl]piperidin-2-one CAS Name: (5S)-1-cyclopropyl-5-[oxo-[4-(3-pyridinylmethyl)-1,4-diazepan-4-ium-1-yl]methyl]-2-piperidinone IUPAC Name: (5S)-1-cyclopropyl-5-[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-carbonyl]piperidin-2-one Traditional Name: (5S)-1-cyclopropyl-5-[4-(3-pyridylmethyl)-1,4-diazepan-4-ium-1-carbonyl]-2-piperidone Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2CCC(=O)N(C2)C3CC3)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)[C@H]2CCC(=O)N(C2)C3CC3)CC4=CN=CC=C4

InChI

InChI=1S/C20H28N4O2/c25-19-7-4-17(15-24(19)18-5-6-18)20(26)23-10-2-9-22(11-12-23)14-16-3-1-8-21-13-16/h1,3,8,13,17-18H,2,4-7,9-12,14-15H2/p+1/t17-/m0/s1