4-[[4-(2-methylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-methylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methylquinoline-4-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-methyl-4-quinolinyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methylquinoline-4-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-methylquinoline-4-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H23N4O+ MolecularWeight: 371.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H22N4O/c1-17-14-21(20-4-2-3-5-22(20)25-17)23(28)27-12-10-26(11-13-27)16-19-8-6-18(15-24)7-9-19/h2-9,14H,10-13,16H2,1H3/p+1