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

Systemtic Name: [6-[(1-methylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Openeye Name: [6-[(1-methylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)-1-piperidyl]methanone CAS Name: [6-[(1-methyl-4-piperidin-1-iumyl)amino]-3-pyridin-1-iumyl]-[4-[2-(1-pyrazolyl)ethyl]-1-piperidinyl]methanone IUPAC Name: [6-[(1-methylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Traditional Name: [6-[(1-methylpiperidin-1-ium-4-yl)amino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidino]methanone Formula: C22H34N6O+2 MolecularWeight: 398.54496

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4

Isomeric SMILES

C[NH+]1CCC(CC1)NC2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4

InChI

InChI=1S/C22H32N6O/c1-26-12-8-20(9-13-26)25-21-4-3-19(17-23-21)22(29)27-14-5-18(6-15-27)7-16-28-11-2-10-24-28/h2-4,10-11,17-18,20H,5-9,12-16H2,1H3,(H,23,25)/p+2