N-[(6R)-6-tert-butyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[(6R)-6-tert-butyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: N-[(6R)-6-tert-butyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[(6R)-6-tert-butyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: N-[(6R)-6-tert-butyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[(6R)-6-tert-butyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N3CC[NH+](CC3)C)NC(=O)C4=CC=CO4

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)N3CC[NH+](CC3)C)NC(=O)C4=CC=CO4

InChI

InChI=1S/C23H31N3O3S/c1-23(2,3)15-7-8-16-18(14-15)30-21(24-20(27)17-6-5-13-29-17)19(16)22(28)26-11-9-25(4)10-12-26/h5-6,13,15H,7-12,14H2,1-4H3,(H,24,27)/p+1/t15-/m1/s1