1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-(o-tolylmethyl)-N-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: 1-[(2-methylphenyl)methyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: 1-(2-methylbenzyl)-N-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C18H26N5O+ MolecularWeight: 328.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(N=N2)C(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C18H25N5O/c1-15-7-3-4-8-16(15)13-23-14-17(20-21-23)18(24)19-9-12-22-10-5-2-6-11-22/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,19,24)/p+1