N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-[(4-oxidanylcyclohexyl)amino]pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-[(4-oxidanylcyclohexyl)amino]pyridin-1-ium-3-carboxamide Openeye Name: 6-[(4-hydroxycyclohexyl)amino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(4-hydroxycyclohexyl)amino]-N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(4-hydroxycyclohexyl)amino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(4-hydroxycyclohexyl)amino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide Formula: C20H34N4O2+2 MolecularWeight: 362.50956

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCNC(=O)C2=C[NH+]=C(C=C2)NC3CCC(CC3)O

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=C[NH+]=C(C=C2)NC3CCC(CC3)O

InChI

InChI=1S/C20H32N4O2/c1-24-13-3-2-4-17(24)11-12-21-20(26)15-5-10-19(22-14-15)23-16-6-8-18(25)9-7-16/h5,10,14,16-18,25H,2-4,6-9,11-13H2,1H3,(H,21,26)(H,22,23)/p+2/t16?,17-,18?/m0/s1