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

Systemtic Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-(2-piperidin-4-ylethyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-[2-(4-piperidyl)ethyl]-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[(4-methylanilino)-oxomethyl]-3-(4-methylphenyl)-1-[2-(4-piperidinyl)ethyl]-4-triazol-1-iumolate IUPAC Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-(2-piperidin-4-ylethyl)triazol-1-ium-4-olate Traditional Name: 1-[2-(4-piperidyl)ethyl]-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+]2CCC3CCNCC3)C4=CC=C(C=C4)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CCC3CCNCC3)C4=CC=C(C=C4)C)[O-]

InChI

InChI=1S/C24H29N5O2/c1-17-3-7-20(8-4-17)26-23(30)22-24(31)29(21-9-5-18(2)6-10-21)27-28(22)16-13-19-11-14-25-15-12-19/h3-10,19,25H,11-16H2,1-2H3,(H-,26,27,30,31)