(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(4-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(4-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)CC4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+](C3)CC4=CC=NC=C4

InChI

InChI=1S/C25H27N3O2/c1-30-24-6-2-4-21(16-24)20-7-9-23(10-8-20)27-25(29)22-5-3-15-28(18-22)17-19-11-13-26-14-12-19/h2,4,6-14,16,22H,3,5,15,17-18H2,1H3,(H,27,29)/p+1/t22-/m0/s1