N-[2-[[4-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]carbonylcyclohexyl]methylamino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-[2-[[4-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]carbonylcyclohexyl]methylamino]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[[4-[4-(4-methylquinolin-1-ium-2-yl)piperazine-1-carbonyl]cyclohexyl]methylamino]-2-oxo-ethyl]benzamide CAS Name: N-[2-[[4-[[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methylamino]-2-oxoethyl]benzamide IUPAC Name: N-[2-[[4-[4-(4-methylquinolin-1-ium-2-yl)piperazine-1-carbonyl]cyclohexyl]methylamino]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-[[4-[4-(4-methylquinolin-1-ium-2-yl)piperazine-1-carbonyl]cyclohexyl]methylamino]ethyl]benzamide Formula: C31H38N5O3+ MolecularWeight: 528.66512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)C4CCC(CC4)CNC(=O)CNC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)C4CCC(CC4)CNC(=O)CNC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H37N5O3/c1-22-19-28(34-27-10-6-5-9-26(22)27)35-15-17-36(18-16-35)31(39)25-13-11-23(12-14-25)20-32-29(37)21-33-30(38)24-7-3-2-4-8-24/h2-10,19,23,25H,11-18,20-21H2,1H3,(H,32,37)(H,33,38)/p+1