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

Systemtic Name: ethyl 4-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-(1-o-veratrylpiperidin-1-ium-4-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C22H34N3O5+ MolecularWeight: 420.52246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H33N3O5/c1-4-30-22(27)25-14-12-24(13-15-25)21(26)17-8-10-23(11-9-17)16-18-6-5-7-19(28-2)20(18)29-3/h5-7,17H,4,8-16H2,1-3H3/p+1