(E)-but-2-enedioate; 8-(2-dimethylaminoethyl)-6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepine-5-thione

Systemtic Name: (E)-but-2-enedioate; 8-(2-dimethylaminoethyl)-6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepine-5-thione Openeye Name: (E)-but-2-enedioate; 8-(2-dimethylaminoethyl)-6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepine-5-thione CAS Name: (E)-2-butenedioate; 8-(2-dimethylaminoethyl)-6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepine-5-thione IUPAC Name: (E)-but-2-enedioate; 8-(2-dimethylaminoethyl)-6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepine-5-thione Traditional Name: 8-(2-dimethylaminoethyl)-6-methyl-8,9-dihydro-7H-pyrid[3,2-c]azepine-5-thione fumarate Formula: C18H23N3O4S-2 MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC2=C(C1=S)C=CC=N2)CCN(C)C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1CC(CC2=C(C1=S)C=CC=N2)CCN(C)C.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C14H21N3S.C4H4O4/c1-16(2)8-6-11-9-13-12(5-4-7-15-13)14(18)17(3)10-11;5-3(6)1-2-4(7)8/h4-5,7,11H,6,8-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+