(Z)-but-2-enedioate; (3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-yl-propan-1-amine

Systemtic Name: (Z)-but-2-enedioate; (3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-yl-propan-1-amine Openeye Name: (Z)-but-2-enedioate; (3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-(2-pyridyl)propan-1-amine CAS Name: (Z)-2-butenedioate; (3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-(2-pyridinyl)-1-propanamine IUPAC Name: (Z)-but-2-enedioate; (3S)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine Traditional Name: [(3S)-3-(4-chlorophenyl)-3-(2-pyridyl)propyl]-dimethyl-amine maleate Formula: C20H21ClN2O4-2 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN(C)CC[C@@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-/t15-;/m0./s1