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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O3/c1-33-28-20-25(12-13-27(28)34-22-24-10-6-3-7-11-24)21-31-18-15-26(16-19-31)29(32)30-17-14-23-8-4-2-5-9-23/h2-13,20,26H,14-19,21-22H2,1H3,(H,30,32)/p+1