N-(2-cyanophenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(2-cyanophenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide Openeye Name: N-(2-cyanophenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide CAS Name: N-(2-cyanophenyl)-4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(2-cyanophenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide Traditional Name: N-(2-cyanophenyl)-4-(2-methylquinolin-1-ium-4-yl)piperazine-1-carboxamide Formula: C22H22N5O+ MolecularWeight: 372.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C22H21N5O/c1-16-14-21(18-7-3-5-9-20(18)24-16)26-10-12-27(13-11-26)22(28)25-19-8-4-2-6-17(19)15-23/h2-9,14H,10-13H2,1H3,(H,25,28)/p+1