3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-(2-piperidin-1-ylethyl)-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-(2-piperidin-1-ylethyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-[2-(1-piperidyl)ethyl]-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[(4-methylanilino)-oxomethyl]-3-(4-methylphenyl)-1-[2-(1-piperidinyl)ethyl]-4-triazol-1-iumolate IUPAC Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-(2-piperidin-1-ylethyl)triazol-1-ium-4-olate Traditional Name: 1-(2-piperidinoethyl)-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CCN3CCCCC3)C4=CC=C(C=C4)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CCN3CCCCC3)C4=CC=C(C=C4)C)[O-]

InChI

InChI=1S/C24H29N5O2/c1-18-6-10-20(11-7-18)25-23(30)22-24(31)29(21-12-8-19(2)9-13-21)26-28(22)17-16-27-14-4-3-5-15-27/h6-13H,3-5,14-17H2,1-2H3,(H-,25,26,30,31)