N-(2-chloranyl-6-methoxy-phenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(2-chloranyl-6-methoxy-phenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide Openeye Name: N-(2-chloro-6-methoxy-phenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide CAS Name: N-(2-chloro-6-methoxyphenyl)-4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(2-chloro-6-methoxyphenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide Traditional Name: N-(2-chloro-6-methoxy-phenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)NC4=C(C=CC=C4Cl)OC

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)NC4=C(C=CC=C4Cl)OC

InChI

InChI=1S/C22H23ClN4O2/c1-15-14-19(16-6-3-4-8-18(16)24-15)26-10-12-27(13-11-26)22(28)25-21-17(23)7-5-9-20(21)29-2/h3-9,14H,10-13H2,1-2H3,(H,25,28)/p+1