N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-(3-methoxyphenyl)ethanamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-(3-methoxyphenyl)ethanamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-(3-methoxyphenyl)acetamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-2-(3-methoxyphenyl)acetamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-(3-methoxyphenyl)acetamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-2-(3-methoxyphenyl)acetamide Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O2/c1-26-20-6-2-4-17(12-20)13-21(25)23-19-5-3-11-24(15-19)14-16-7-9-18(22)10-8-16/h2,4,6-10,12,19H,3,5,11,13-15H2,1H3,(H,23,25)/p+1/t19-/m0/s1