N-cyclopropyl-1-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopropyl-1-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(2-allyloxyphenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[(2-prop-2-enoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: 1-[1-(2-allyloxybenzyl)piperidin-1-ium-4-yl]-N-cyclopropyl-triazole-4-carboxamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4

InChI

InChI=1S/C21H27N5O2/c1-2-13-28-20-6-4-3-5-16(20)14-25-11-9-18(10-12-25)26-15-19(23-24-26)21(27)22-17-7-8-17/h2-6,15,17-18H,1,7-14H2,(H,22,27)/p+1