N-[[1-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]-1-phenyl-methanamine dihydrochloride

Systemtic Name: N-[[1-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]-1-phenyl-methanamine dihydrochloride Openeye Name: N-[[1-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]-1-phenyl-methanamine dihydrochloride CAS Name: N-[[1-(2-phenoxyethyl)-1-piperidin-1-iumyl]methyl]-1-phenylmethanamine dihydrochloride IUPAC Name: N-[[1-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]-1-phenylmethanamine dihydrochloride Traditional Name: benzyl-[[1-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]amine dihydrochloride Formula: C21H31Cl2N2O+ MolecularWeight: 398.38964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCOC2=CC=CC=C2)CNCC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CC[N+](CC1)(CCOC2=CC=CC=C2)CNCC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H29N2O.2ClH/c1-4-10-20(11-5-1)18-22-19-23(14-8-3-9-15-23)16-17-24-21-12-6-2-7-13-21;;/h1-2,4-7,10-13,22H,3,8-9,14-19H2;2*1H/q+1;;