1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-N-(3-oxidanylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-N-(3-oxidanylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide CAS Name: 1-[1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]-N-(3-hydroxypropyl)-4-triazolecarboxamide IUPAC Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide Traditional Name: 1-[1-(4-ethylbenzyl)piperidin-1-ium-4-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCCCO

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCCCO

InChI

InChI=1S/C20H29N5O2/c1-2-16-4-6-17(7-5-16)14-24-11-8-18(9-12-24)25-15-19(22-23-25)20(27)21-10-3-13-26/h4-7,15,18,26H,2-3,8-14H2,1H3,(H,21,27)/p+1