(3S)-N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]-N-[2-(2-pyridyl)ethyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-1-[(3-methyl-2-quinoxalinyl)methyl]-N-[2-(2-pyridinyl)ethyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine Traditional Name: methyl-[(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]-[2-(2-pyridyl)ethyl]amine Formula: C23H30N5+ MolecularWeight: 376.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCCC(C3)N(C)CCC4=CC=CC=N4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)N(C)CCC4=CC=CC=N4

InChI

InChI=1S/C23H29N5/c1-18-23(26-22-11-4-3-10-21(22)25-18)17-28-14-7-9-20(16-28)27(2)15-12-19-8-5-6-13-24-19/h3-6,8,10-11,13,20H,7,9,12,14-17H2,1-2H3/p+1/t20-/m0/s1