(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-carboxamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H29N3O2/c1-19-6-3-9-24(27-19)18-29-15-5-8-22(17-29)26(30)28-23-13-11-20(12-14-23)21-7-4-10-25(16-21)31-2/h3-4,6-7,9-14,16,22H,5,8,15,17-18H2,1-2H3,(H,28,30)/p+1/t22-/m0/s1