3-(4-ethoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(4-ethoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-1H-pyrazole-5-carboxamide Openeye Name: 3-(4-ethoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-ethoxyphenyl)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-ethoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-1H-pyrazole-5-carboxamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-3-p-phenetyl-1H-pyrazole-5-carboxamide Formula: C18H24N5O2+ MolecularWeight: 342.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=C3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=C3CC[NH+](CC3)C

InChI

InChI=1S/C18H23N5O2/c1-3-25-15-6-4-13(5-7-15)16-12-17(21-20-16)18(24)22-19-14-8-10-23(2)11-9-14/h4-7,12H,3,8-11H2,1-2H3,(H,20,21)(H,22,24)/p+1