N-[(1R,2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]cyclopropanecarboxamide

Systemtic Name: N-[(1R,2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]cyclopropanecarboxamide Openeye Name: N-[(1R,2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]cyclopropanecarboxamide CAS Name: N-[(1R,2R)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide IUPAC Name: N-[(1R,2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide Traditional Name: N-[(1R,2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]cyclopropanecarboxamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)NC(=O)C4CC4

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)NC(=O)C4CC4

InChI

InChI=1S/C22H29N3O2S/c1-16(23-22(26)17-5-6-17)21(20-4-3-15-28-20)25-13-11-24(12-14-25)18-7-9-19(27-2)10-8-18/h3-4,7-10,15-17,21H,5-6,11-14H2,1-2H3,(H,23,26)/p+1/t16-,21-/m1/s1