(2,3-dimethylquinoxalin-6-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,3-dimethylquinoxalin-6-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2,3-dimethylquinoxalin-6-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2,3-dimethyl-6-quinoxalinyl)-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,3-dimethylquinoxalin-6-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2,3-dimethylquinoxalin-6-yl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-yl]methanone Formula: C21H31N5O+2 MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC[NH+]4CCCC4)N=C1C

InChI

InChI=1S/C21H29N5O/c1-16-17(2)23-20-15-18(5-6-19(20)22-16)21(27)26-13-11-25(12-14-26)10-9-24-7-3-4-8-24/h5-6,15H,3-4,7-14H2,1-2H3/p+2