5-methoxy-3-methyl-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-methoxy-3-methyl-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-methoxy-3-methyl-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]benzofuran-2-carboxamide CAS Name: 5-methoxy-3-methyl-N-[(2R)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]-2-benzofurancarboxamide IUPAC Name: 5-methoxy-3-methyl-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-methoxy-3-methyl-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]coumarilamide Formula: C22H29N3O3S+2 MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCC(C3=CC=CS3)[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC[C@H](C3=CC=CS3)[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C22H27N3O3S/c1-15-17-13-16(27-3)6-7-19(17)28-21(15)22(26)23-14-18(20-5-4-12-29-20)25-10-8-24(2)9-11-25/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,23,26)/p+2/t18-/m1/s1