(4S)-4-methyl-5-(2-piperidin-1-ium-1-ylethanoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-4-methyl-5-(2-piperidin-1-ium-1-ylethanoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-4-methyl-5-(2-piperidin-1-ium-1-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-(2-piperidin-1-ium-1-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-4-methyl-5-(2-piperidin-1-ium-1-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCCCC3

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C17H23N3O2/c1-13-11-16(21)18-14-7-3-4-8-15(14)20(13)17(22)12-19-9-5-2-6-10-19/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,18,21)/p+1/t13-/m0/s1