(3S)-1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(m-tolylmethyl)-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3-methylphenyl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-methylbenzyl)-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C25H27N3O2/c1-19-7-4-8-20(15-19)17-28-14-6-9-21(18-28)25(29)27-23-11-2-3-12-24(23)30-22-10-5-13-26-16-22/h2-5,7-8,10-13,15-16,21H,6,9,14,17-18H2,1H3,(H,27,29)/p+1/t21-/m0/s1