7-chloranyl-4-(1,4-dimethylpiperazin-1-ium-1-yl)-1-methyl-10H-thieno[3,4-b][1,5]benzodiazepine

Systemtic Name: 7-chloranyl-4-(1,4-dimethylpiperazin-1-ium-1-yl)-1-methyl-10H-thieno[3,4-b][1,5]benzodiazepine Openeye Name: 7-chloro-4-(1,4-dimethylpiperazin-1-ium-1-yl)-1-methyl-10H-thieno[3,4-b][1,5]benzodiazepine CAS Name: 7-chloro-4-(1,4-dimethyl-1-piperazin-1-iumyl)-1-methyl-10H-thieno[3,4-b][1,5]benzodiazepine IUPAC Name: 7-chloro-4-(1,4-dimethylpiperazin-1-ium-1-yl)-1-methyl-10H-thieno[3,4-b][1,5]benzodiazepine Traditional Name: 7-chloro-4-(1,4-dimethylpiperazin-1-ium-1-yl)-1-methyl-10H-thieno[3,4-b][1,5]benzodiazepine Formula: C18H22ClN4S+ MolecularWeight: 361.91208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CS1)C(=NC3=C(N2)C=CC(=C3)Cl)[N+]4(CCN(CC4)C)C

Isomeric SMILES

CC1=C2C(=CS1)C(=NC3=C(N2)C=CC(=C3)Cl)[N+]4(CCN(CC4)C)C

InChI

InChI=1S/C18H22ClN4S/c1-12-17-14(11-24-12)18(23(3)8-6-22(2)7-9-23)21-16-10-13(19)4-5-15(16)20-17/h4-5,10-11,20H,6-9H2,1-3H3/q+1