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

Systemtic Name: (4S)-4-methyl-5-(2-pyrrolidin-1-ium-1-ylethanoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-4-methyl-5-(2-pyrrolidin-1-ium-1-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-(2-pyrrolidin-1-ium-1-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-4-methyl-5-(2-pyrrolidin-1-ium-1-ylacetyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCCC3

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCCC3

InChI

InChI=1S/C16H21N3O2/c1-12-10-15(20)17-13-6-2-3-7-14(13)19(12)16(21)11-18-8-4-5-9-18/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,20)/p+1/t12-/m0/s1