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

Systemtic Name: N-[(1R,2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]-2-methyl-propanamide Openeye Name: N-[(1R,2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]-2-methyl-propanamide CAS Name: N-[(1R,2R)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide IUPAC Name: N-[(1R,2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide Traditional Name: N-[(1R,2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]-2-methyl-propionamide Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O2S/c1-16(2)22(26)23-17(3)21(20-6-5-15-28-20)25-13-11-24(12-14-25)18-7-9-19(27-4)10-8-18/h5-10,15-17,21H,11-14H2,1-4H3,(H,23,26)/p+1/t17-,21-/m1/s1