(3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methoxyphenyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3-hydroxyphenyl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-hydroxybenzyl)-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C26H29N2O3+ MolecularWeight: 417.52006

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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(=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O3/c1-31-25-9-3-6-21(16-25)20-10-12-23(13-11-20)27-26(30)22-7-4-14-28(18-22)17-19-5-2-8-24(29)15-19/h2-3,5-6,8-13,15-16,22,29H,4,7,14,17-18H2,1H3,(H,27,30)/p+1/t22-/m0/s1