(3S)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(4-benzoxy-3-methoxy-benzyl)-N-benzyl-N-methyl-piperidin-1-ium-3-carboxamide Formula: C29H35N2O3+ MolecularWeight: 459.5998

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2CCC[NH+](C2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C29H34N2O3/c1-30(19-23-10-5-3-6-11-23)29(32)26-14-9-17-31(21-26)20-25-15-16-27(28(18-25)33-2)34-22-24-12-7-4-8-13-24/h3-8,10-13,15-16,18,26H,9,14,17,19-22H2,1-2H3/p+1/t26-/m0/s1