1-[(3,4-dimethoxyphenyl)methoxy]-3-piperazin-1-yl-propan-2-ol; 2-methylpyridine; dihydrochloride

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methoxy]-3-piperazin-1-yl-propan-2-ol; 2-methylpyridine; dihydrochloride Openeye Name: 1-[(3,4-dimethoxyphenyl)methoxy]-3-piperazin-1-yl-propan-2-ol; 2-methylpyridine; dihydrochloride CAS Name: 1-[(3,4-dimethoxyphenyl)methoxy]-3-(1-piperazinyl)-2-propanol; 2-methylpyridine; dihydrochloride IUPAC Name: 1-[(3,4-dimethoxyphenyl)methoxy]-3-piperazin-1-ylpropan-2-ol; 2-methylpyridine; dihydrochloride Traditional Name: $a-picoline; 1-piperazino-3-veratryloxy-propan-2-ol; dihydrochloride Formula: C22H35Cl2N3O4 MolecularWeight: 476.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=N1.COC1=C(C=C(C=C1)COCC(CN2CCNCC2)O)OC.Cl.Cl

Isomeric SMILES

CC1=CC=CC=N1.COC1=C(C=C(C=C1)COCC(CN2CCNCC2)O)OC.Cl.Cl

InChI

InChI=1S/C16H26N2O4.C6H7N.2ClH/c1-20-15-4-3-13(9-16(15)21-2)11-22-12-14(19)10-18-7-5-17-6-8-18;1-6-4-2-3-5-7-6;;/h3-4,9,14,17,19H,5-8,10-12H2,1-2H3;2-5H,1H3;2*1H