ethyl 4-[(3S)-1-[2-(2,5-dimethoxyphenyl)ethanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[2-(2,5-dimethoxyphenyl)ethanoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[2-(2,5-dimethoxyphenyl)acetyl]-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[2-(2,5-dimethoxyphenyl)-1-oxoethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[2-(2,5-dimethoxyphenyl)acetyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-[2-(2,5-dimethoxyphenyl)acetyl]-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H34N3O5+ MolecularWeight: 420.52246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H33N3O5/c1-4-30-22(27)24-12-10-23(11-13-24)18-6-5-9-25(16-18)21(26)15-17-14-19(28-2)7-8-20(17)29-3/h7-8,14,18H,4-6,9-13,15-16H2,1-3H3/p+1/t18-/m0/s1