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

Systemtic Name: N-cyclopropyl-1-[1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[(E)-3-(4-dimethylaminophenyl)allyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopropyl-1-[1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-[(E)-3-(4-dimethylaminophenyl)allyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C22H31N6O+ MolecularWeight: 395.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O/c1-26(2)19-9-5-17(6-10-19)4-3-13-27-14-11-20(12-15-27)28-16-21(24-25-28)22(29)23-18-7-8-18/h3-6,9-10,16,18,20H,7-8,11-15H2,1-2H3,(H,23,29)/p+1/b4-3+