1-[1-(2,5-dimethylpyrazol-3-yl)carbonylpiperidin-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(2,5-dimethylpyrazol-3-yl)carbonylpiperidin-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(2,5-dimethylpyrazole-3-carbonyl)-4-piperidyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(2,5-dimethyl-3-pyrazolyl)-oxomethyl]-4-piperidinyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(2,5-dimethylpyrazole-3-carbonyl)-4-piperidyl]-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C25H36N5O2+ MolecularWeight: 438.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C25H35N5O2/c1-19-18-23(28(2)27-19)25(32)30-16-11-22(12-17-30)29-14-9-21(10-15-29)24(31)26-13-8-20-6-4-3-5-7-20/h3-7,18,21-22H,8-17H2,1-2H3,(H,26,31)/p+1