ethyl 1-(1-ethanoylpiperidin-4-yl)-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(1-ethanoylpiperidin-4-yl)-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1-acetyl-4-piperidyl)-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(1-acetyl-4-piperidinyl)-4-(3-phenylpropyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-acetylpiperidin-4-yl)-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(1-acetyl-4-piperidyl)-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H37N2O3+ MolecularWeight: 401.56218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCN(CC2)C(=O)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CCN(CC2)C(=O)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H36N2O3/c1-3-29-23(28)24(13-7-10-21-8-5-4-6-9-21)14-18-26(19-15-24)22-11-16-25(17-12-22)20(2)27/h4-6,8-9,22H,3,7,10-19H2,1-2H3/p+1