1-(azepan-1-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanone Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C21H29N5O/c1-17-21(23-19-9-5-4-8-18(19)22-17)26-14-12-24(13-15-26)16-20(27)25-10-6-2-3-7-11-25/h4-5,8-9H,2-3,6-7,10-16H2,1H3/p+1