ethyl 4-[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[4-[anilino(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H33N4O4+ MolecularWeight: 417.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H32N4O4/c1-2-30-22(29)26-14-10-19(11-15-26)23-20(27)16-25-12-8-17(9-13-25)21(28)24-18-6-4-3-5-7-18/h3-7,17,19H,2,8-16H2,1H3,(H,23,27)(H,24,28)/p+1