N-cyclopropyl-1-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NC4CC4

InChI

InChI=1S/C21H27N5O2/c1-28-19-8-4-16(5-9-19)3-2-12-25-13-10-18(11-14-25)26-15-20(23-24-26)21(27)22-17-6-7-17/h2-5,8-9,15,17-18H,6-7,10-14H2,1H3,(H,22,27)/p+1/b3-2+