N-[(1R,2R)-1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-1-thiophen-2-yl-propan-2-yl]propanamide

Systemtic Name: N-[(1R,2R)-1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-1-thiophen-2-yl-propan-2-yl]propanamide Openeye Name: N-[(1R,2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]propanamide CAS Name: N-[(1R,2R)-1-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-1-thiophen-2-ylpropan-2-yl]propanamide IUPAC Name: N-[(1R,2R)-1-(4-benzylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide Traditional Name: N-[(1R,2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]propionamide Formula: C21H31N3OS+2 MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C)C(C1=CC=CS1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)N[C@H](C)[C@H](C1=CC=CS1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3OS/c1-3-20(25)22-17(2)21(19-10-7-15-26-19)24-13-11-23(12-14-24)16-18-8-5-4-6-9-18/h4-10,15,17,21H,3,11-14,16H2,1-2H3,(H,22,25)/p+2/t17-,21-/m1/s1