ethyl 4-phenylazanyl-1-(phenylmethyl)piperidin-1-ium-1-carboxylate dihydrochloride

Systemtic Name: ethyl 4-phenylazanyl-1-(phenylmethyl)piperidin-1-ium-1-carboxylate dihydrochloride Openeye Name: ethyl 4-anilino-1-benzyl-piperidin-1-ium-1-carboxylate dihydrochloride CAS Name: 4-anilino-1-(phenylmethyl)-1-piperidin-1-iumcarboxylic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-anilino-1-benzylpiperidin-1-ium-1-carboxylate dihydrochloride Traditional Name: 4-anilino-1-benzyl-piperidin-1-ium-1-carboxylic acid ethyl ester dihydrochloride Formula: C21H29Cl2N2O2+ MolecularWeight: 412.37316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCC(CC1)NC2=CC=CC=C2)CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCOC(=O)[N+]1(CCC(CC1)NC2=CC=CC=C2)CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H27N2O2.2ClH/c1-2-25-21(24)23(17-18-9-5-3-6-10-18)15-13-20(14-16-23)22-19-11-7-4-8-12-19;;/h3-12,20,22H,2,13-17H2,1H3;2*1H/q+1;;