2-ethyl-1-(2-phenoxyethyl)-1-(phenylmethyl)piperidin-1-ium; methanamine; dihydrochloride

Systemtic Name: 2-ethyl-1-(2-phenoxyethyl)-1-(phenylmethyl)piperidin-1-ium; methanamine; dihydrochloride Openeye Name: 1-benzyl-2-ethyl-1-(2-phenoxyethyl)piperidin-1-ium; methanamine; dihydrochloride CAS Name: 2-ethyl-1-(2-phenoxyethyl)-1-(phenylmethyl)piperidin-1-ium; methanamine; dihydrochloride IUPAC Name: 1-benzyl-2-ethyl-1-(2-phenoxyethyl)piperidin-1-ium; methanamine; dihydrochloride Traditional Name: 1-benzyl-2-ethyl-1-(2-phenoxyethyl)piperidin-1-ium; methylamine; dihydrochloride Formula: C23H37Cl2N2O+ MolecularWeight: 428.45868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[N+]1(CCOC2=CC=CC=C2)CC3=CC=CC=C3.CN.Cl.Cl

Isomeric SMILES

CCC1CCCC[N+]1(CCOC2=CC=CC=C2)CC3=CC=CC=C3.CN.Cl.Cl

InChI

InChI=1S/C22H30NO.CH5N.2ClH/c1-2-21-13-9-10-16-23(21,19-20-11-5-3-6-12-20)17-18-24-22-14-7-4-8-15-22;1-2;;/h3-8,11-12,14-15,21H,2,9-10,13,16-19H2,1H3;2H2,1H3;2*1H/q+1;;;