(4S)-4-methyl-5-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-4-methyl-5-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-5-[2-(4-hydroxy-1-piperidin-1-iumyl)-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-5-[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-[2-(4-hydroxypiperidin-1-ium-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCC(CC3)O

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C17H23N3O3/c1-12-10-16(22)18-14-4-2-3-5-15(14)20(12)17(23)11-19-8-6-13(21)7-9-19/h2-5,12-13,21H,6-11H2,1H3,(H,18,22)/p+1/t12-/m0/s1