diethyl-[2-[4-[5-[(2-methylphenyl)carbamoylamino]pyrazol-1-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: diethyl-[2-[4-[5-[(2-methylphenyl)carbamoylamino]pyrazol-1-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: diethyl-[2-[4-[5-(o-tolylcarbamoylamino)pyrazol-1-yl]-1-piperidyl]-2-oxo-ethyl]ammonium CAS Name: diethyl-[2-[4-[5-[[(2-methylanilino)-oxomethyl]amino]-1-pyrazolyl]-1-piperidinyl]-2-oxoethyl]ammonium IUPAC Name: diethyl-[2-[4-[5-[(2-methylphenyl)carbamoylamino]pyrazol-1-yl]piperidin-1-yl]-2-oxoethyl]azanium Traditional Name: diethyl-[2-keto-2-[4-[5-(o-tolylcarbamoylamino)pyrazol-1-yl]piperidino]ethyl]ammonium Formula: C22H33N6O2+ MolecularWeight: 413.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC[NH+](CC)CC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C22H32N6O2/c1-4-26(5-2)16-21(29)27-14-11-18(12-15-27)28-20(10-13-23-28)25-22(30)24-19-9-7-6-8-17(19)3/h6-10,13,18H,4-5,11-12,14-16H2,1-3H3,(H2,24,25,30)/p+1