(9S)-6-methyl-9-thiophen-2-yl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-11-ium-7-one

Systemtic Name: (9S)-6-methyl-9-thiophen-2-yl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-11-ium-7-one Openeye Name: (9S)-6-methyl-9-(2-thienyl)-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-11-ium-7-one CAS Name: (9S)-6-methyl-9-thiophen-2-yl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-11-ium-7-one IUPAC Name: (9S)-6-methyl-9-thiophen-2-yl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-11-ium-7-one Traditional Name: (9S)-6-methyl-9-(2-thienyl)-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-11-ium-7-one Formula: C18H17N2OS+ MolecularWeight: 309.40538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=[NH+]C3=CC=CC=C3N1)CC(CC2=O)C4=CC=CS4

Isomeric SMILES

CC1=C2C(=[NH+]C3=CC=CC=C3N1)C[C@@H](CC2=O)C4=CC=CS4

InChI

InChI=1S/C18H16N2OS/c1-11-18-15(20-14-6-3-2-5-13(14)19-11)9-12(10-16(18)21)17-7-4-8-22-17/h2-8,12,19H,9-10H2,1H3/p+1/t12-/m0/s1