1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-[4-(3-methyl-2-quinoxalinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(3S,5S)-3,5-dimethylpiperidino]-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]ethanone Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4N=C3C)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4N=C3C)C

InChI

InChI=1S/C22H31N5O/c1-16-12-17(2)14-27(13-16)21(28)15-25-8-10-26(11-9-25)22-18(3)23-19-6-4-5-7-20(19)24-22/h4-7,16-17H,8-15H2,1-3H3/p+1/t16-,17-/m0/s1