methyl 1-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(4-benzyloxy-3-methoxy-phenyl)methyl-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(4-benzoxy-3-methoxy-benzyl)-methyl-amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C25H33N2O5+ MolecularWeight: 441.53992

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C25H32N2O5/c1-26(24(28)17-27-13-11-21(12-14-27)25(29)31-3)16-20-9-10-22(23(15-20)30-2)32-18-19-7-5-4-6-8-19/h4-10,15,21H,11-14,16-18H2,1-3H3/p+1