(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-yl-propan-1-amine; (Z)-but-2-enedioic acid

Systemtic Name: (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-yl-propan-1-amine; (Z)-but-2-enedioic acid Openeye Name: (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-(2-pyridyl)propan-1-amine; maleic acid CAS Name: (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-(2-pyridinyl)-1-propanamine; (Z)-2-butenedioic acid IUPAC Name: (3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine; (Z)-but-2-enedioic acid Traditional Name: [(3S)-3-(4-bromophenyl)-3-(2-pyridyl)propyl]-dimethyl-amine; maleic acid Formula: C24H27BrN2O8 MolecularWeight: 551.38378

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CC[C@H](C1=CC=CC=N1)C2=CC=C(C=C2)Br)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C16H19BrN2.2C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;2*5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-/t15-;;/m0../s1