ethyl 4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H33N4O4+ MolecularWeight: 405.51112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H32N4O4/c1-3-29-21(27)25-9-7-17(8-10-25)22-20(26)16-23-11-13-24(14-12-23)18-5-4-6-19(15-18)28-2/h4-6,15,17H,3,7-14,16H2,1-2H3,(H,22,26)/p+1