(5S)-7-methyl-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one

Systemtic Name: (5S)-7-methyl-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one Openeye Name: (5S)-7-methyl-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one CAS Name: (5S)-7-methyl-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one IUPAC Name: (5S)-7-methyl-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one Traditional Name: (5S)-7-methyl-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one Formula: C16H17N2O+ MolecularWeight: 253.31898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C[NH2+]C2C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C[NH2+][C@H]2C3=CC=CC=C3

InChI

InChI=1S/C16H16N2O/c1-11-7-8-14-13(9-11)16(17-10-15(19)18-14)12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3,(H,18,19)/p+1/t16-/m0/s1