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

Systemtic Name: ethyl 4-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(2,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2,4-dimethoxybenzyl)piperidin-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=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

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