1-chloranyl-4-ethenyl-N-(1-methylpiperidin-4-yl)isoquinolin-5-amine; 2,4-dimethylbenzoic acid

Systemtic Name: 1-chloranyl-4-ethenyl-N-(1-methylpiperidin-4-yl)isoquinolin-5-amine; 2,4-dimethylbenzoic acid Openeye Name: 1-chloro-N-(1-methyl-4-piperidyl)-4-vinyl-isoquinolin-5-amine; 2,4-dimethylbenzoic acid CAS Name: 1-chloro-4-ethenyl-N-(1-methyl-4-piperidinyl)-5-isoquinolinamine; 2,4-dimethylbenzoic acid IUPAC Name: 1-chloro-4-ethenyl-N-(1-methylpiperidin-4-yl)isoquinolin-5-amine; 2,4-dimethylbenzoic acid Traditional Name: (1-chloro-4-vinyl-5-isoquinolyl)-(1-methyl-4-piperidyl)amine; 2,4-xylic acid Formula: C26H30ClN3O2 MolecularWeight: 451.9883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C.CN1CCC(CC1)NC2=CC=CC3=C2C(=CN=C3Cl)C=C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C.CN1CCC(CC1)NC2=CC=CC3=C2C(=CN=C3Cl)C=C

InChI

InChI=1S/C17H20ClN3.C9H10O2/c1-3-12-11-19-17(18)14-5-4-6-15(16(12)14)20-13-7-9-21(2)10-8-13;1-6-3-4-8(9(10)11)7(2)5-6/h3-6,11,13,20H,1,7-10H2,2H3;3-5H,1-2H3,(H,10,11)