ethyl 1-[(2,3-dimethoxyphenyl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2,3-dimethoxyphenyl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-o-veratryl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H32NO4+ MolecularWeight: 398.51518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C(=CC=C2)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C(=CC=C2)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C24H31NO4/c1-4-29-23(26)24(17-19-9-6-5-7-10-19)13-15-25(16-14-24)18-20-11-8-12-21(27-2)22(20)28-3/h5-12H,4,13-18H2,1-3H3/p+1