1-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]-N-(3-oxidanylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-yl]-N-(3-oxidanylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-hydroxypropyl)-1-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-(3-hydroxypropyl)-1-[1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(3-hydroxypropyl)-1-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-(3-hydroxypropyl)-1-[1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCCCO

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2/c1-17(14-18-6-3-2-4-7-18)15-25-11-8-19(9-12-25)26-16-20(23-24-26)21(28)22-10-5-13-27/h2-4,6-7,14,16,19,27H,5,8-13,15H2,1H3,(H,22,28)/p+1/b17-14+