N-[4,5-dimethyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-phenyl-methyl]thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-phenyl-methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-phenyl-methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[(S)-(4-methyl-1-piperazine-1,4-diiumyl)-phenylmethyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-phenylmethyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperazine-1,4-diium-1-yl)-phenyl-methyl]-2-thienyl]-2-furamide Formula: C23H29N3O2S+2 MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C23H27N3O2S/c1-16-17(2)29-23(24-22(27)19-10-7-15-28-19)20(16)21(18-8-5-4-6-9-18)26-13-11-25(3)12-14-26/h4-10,15,21H,11-14H2,1-3H3,(H,24,27)/p+2/t21-/m0/s1