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

Systemtic Name: N-[(1R,2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]cyclopropanecarboxamide Openeye Name: N-[(1R,2R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]cyclopropanecarboxamide CAS Name: N-[(1R,2R)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide IUPAC Name: N-[(1R,2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclopropanecarboxamide Traditional Name: N-[(1R,2R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]cyclopropanecarboxamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4CC4

Isomeric SMILES

C[C@H]([C@H](C1=CC=CS1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C22H29N3OS/c1-17(23-22(26)19-9-10-19)21(20-8-5-15-27-20)25-13-11-24(12-14-25)16-18-6-3-2-4-7-18/h2-8,15,17,19,21H,9-14,16H2,1H3,(H,23,26)/p+1/t17-,21-/m1/s1