(2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-phenyl-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-phenyl-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-phenyl-2-piperidin-1-ium-1-yl-acetamide CAS Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-piperidin-1-ium-1-ylacetamide Traditional Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-phenyl-2-piperidin-1-ium-1-yl-acetamide Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCCCC3)Cl

InChI

InChI=1S/C20H23ClN2O2/c1-25-18-11-10-16(14-17(18)21)22-20(24)19(15-8-4-2-5-9-15)23-12-6-3-7-13-23/h2,4-5,8-11,14,19H,3,6-7,12-13H2,1H3,(H,22,24)/p+1/t19-/m0/s1