[6-[(4-oxidanylcyclohexyl)amino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

Systemtic Name: [6-[(4-oxidanylcyclohexyl)amino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Openeye Name: [6-[(4-hydroxycyclohexyl)amino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)-1-piperidyl]methanone CAS Name: [6-[(4-hydroxycyclohexyl)amino]-3-pyridin-1-iumyl]-[4-[2-(1-pyrazolyl)ethyl]-1-piperidinyl]methanone IUPAC Name: [6-[(4-hydroxycyclohexyl)amino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Traditional Name: [6-[(4-hydroxycyclohexyl)amino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidino]methanone Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4)O

Isomeric SMILES

C1CC(CCC1NC2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4)O

InChI

InChI=1S/C22H31N5O2/c28-20-5-3-19(4-6-20)25-21-7-2-18(16-23-21)22(29)26-13-8-17(9-14-26)10-15-27-12-1-11-24-27/h1-2,7,11-12,16-17,19-20,28H,3-6,8-10,13-15H2,(H,23,25)/p+1