6-(4-methylpiperazin-4-ium-1-yl)-8-propan-2-yl-[1]benzothiepino[2,3-b]pyridine

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-8-propan-2-yl-[1]benzothiepino[2,3-b]pyridine Openeye Name: 8-isopropyl-6-(4-methylpiperazin-4-ium-1-yl)-[1]benzothiepino[2,3-b]pyridine CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-8-propan-2-yl-[1]benzothiepino[2,3-b]pyridine IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-8-propan-2-yl-[1]benzothiepino[2,3-b]pyridine Traditional Name: 8-isopropyl-6-(4-methylpiperazin-4-ium-1-yl)-[1]benzothiepino[2,3-b]pyridine Formula: C21H26N3S+ MolecularWeight: 352.51624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)SC3=C(C=CC=N3)C=C2N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)SC3=C(C=CC=N3)C=C2N4CC[NH+](CC4)C

InChI

InChI=1S/C21H25N3S/c1-15(2)16-6-7-20-18(13-16)19(24-11-9-23(3)10-12-24)14-17-5-4-8-22-21(17)25-20/h4-8,13-15H,9-12H2,1-3H3/p+1