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

Systemtic Name: (4S)-5-[2-(azepan-1-ium-1-yl)ethanoyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-5-[2-(azepan-1-ium-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-5-[2-(1-azepan-1-iumyl)-1-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-5-[2-(azepan-1-ium-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-5-[2-(azepan-1-ium-1-yl)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCCCCC3

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C18H25N3O2/c1-14-12-17(22)19-15-8-4-5-9-16(15)21(14)18(23)13-20-10-6-2-3-7-11-20/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3,(H,19,22)/p+1/t14-/m0/s1