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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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