3-(4-methoxyphenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(4-methoxyphenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: 3-(4-methoxyphenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-(4-methoxyphenyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(4-methoxyphenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-(4-methoxyphenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O2/c1-27-22-12-9-20(10-13-22)11-14-23(26)24-21-8-5-16-25(18-21)17-15-19-6-3-2-4-7-19/h2-4,6-7,9-10,12-13,21H,5,8,11,14-18H2,1H3,(H,24,26)/p+1/t21-/m0/s1