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

Systemtic Name: N-[(1R,2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]propanamide Openeye Name: N-[(1R,2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]propanamide CAS Name: N-[(1R,2R)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-thiophen-2-ylpropan-2-yl]propanamide IUPAC Name: N-[(1R,2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-thiophen-2-ylpropan-2-yl]propanamide Traditional Name: N-[(1R,2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-methyl-2-(2-thienyl)ethyl]propionamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-4-20(25)22-16(2)21(19-6-5-15-27-19)24-13-11-23(12-14-24)17-7-9-18(26-3)10-8-17/h5-10,15-16,21H,4,11-14H2,1-3H3,(H,22,25)/p+1/t16-,21-/m1/s1