5-[4-(aminomethyl)phenyl]-3-azanyl-2-ethyl-4-propyl-quinoline-6-carboxamide trihydrochloride

Systemtic Name: 5-[4-(aminomethyl)phenyl]-3-azanyl-2-ethyl-4-propyl-quinoline-6-carboxamide trihydrochloride Openeye Name: 3-amino-5-[4-(aminomethyl)phenyl]-2-ethyl-4-propyl-quinoline-6-carboxamide trihydrochloride CAS Name: 3-amino-5-[4-(aminomethyl)phenyl]-2-ethyl-4-propyl-6-quinolinecarboxamide trihydrochloride IUPAC Name: 3-amino-5-[4-(aminomethyl)phenyl]-2-ethyl-4-propylquinoline-6-carboxamide trihydrochloride Traditional Name: 3-amino-5-[4-(aminomethyl)phenyl]-2-ethyl-4-propyl-quinoline-6-carboxamide trihydrochloride Formula: C22H29Cl3N4O MolecularWeight: 471.85086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NC(=C1N)CC)C=CC(=C2C3=CC=C(C=C3)CN)C(=O)N.Cl.Cl.Cl

Isomeric SMILES

CCCC1=C2C(=NC(=C1N)CC)C=CC(=C2C3=CC=C(C=C3)CN)C(=O)N.Cl.Cl.Cl

InChI

InChI=1S/C22H26N4O.3ClH/c1-3-5-15-20-18(26-17(4-2)21(15)24)11-10-16(22(25)27)19(20)14-8-6-13(12-23)7-9-14;;;/h6-11H,3-5,12,23-24H2,1-2H3,(H2,25,27);3*1H