9,9-dimethyl-6-thiophen-2-yl-5,6,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-11-ium-7-ol

Systemtic Name: 9,9-dimethyl-6-thiophen-2-yl-5,6,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-11-ium-7-ol Openeye Name: 9,9-dimethyl-6-(2-thienyl)-5,6,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-11-ium-7-ol CAS Name: 9,9-dimethyl-6-thiophen-2-yl-5,6,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-11-ium-7-ol IUPAC Name: 9,9-dimethyl-6-thiophen-2-yl-5,6,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-11-ium-7-ol Traditional Name: 9,9-dimethyl-6-(2-thienyl)-5,6,8,10-tetrahydrobenzo[b][1,4]benzodiazepin-11-ium-7-ol Formula: C19H21N2OS+ MolecularWeight: 325.44784

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C2C(NC3=CC=CC=C3[NH+]=C2C1)C4=CC=CS4)O)C

Isomeric SMILES

CC1(CC(=C2C(NC3=CC=CC=C3[NH+]=C2C1)C4=CC=CS4)O)C

InChI

InChI=1S/C19H20N2OS/c1-19(2)10-14-17(15(22)11-19)18(16-8-5-9-23-16)21-13-7-4-3-6-12(13)20-14/h3-9,18,21-22H,10-11H2,1-2H3/p+1