3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]propanamide

Systemtic Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]propanamide Openeye Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(R)-phenyl(2-thienyl)methyl]propanamide CAS Name: 3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-[(R)-phenyl(thiophen-2-yl)methyl]propanamide IUPAC Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]propanamide Traditional Name: 3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(R)-phenyl(2-thienyl)methyl]propionamide Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCC(=O)NC(C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCC(=O)N[C@H](C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C25H29N3O2S/c1-30-22-11-9-21(10-12-22)28-17-15-27(16-18-28)14-13-24(29)26-25(23-8-5-19-31-23)20-6-3-2-4-7-20/h2-12,19,25H,13-18H2,1H3,(H,26,29)/p+1/t25-/m1/s1