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

Systemtic Name: 1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-[1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: 1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-[1-[(E)-3-(2-methoxyphenyl)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(C)NC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC=CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)C2CC[NH+](CC2)C/C=C/C3=CC=CC=C3OC

InChI

InChI=1S/C21H29N5O2/c1-16(2)22-21(27)19-15-26(24-23-19)18-10-13-25(14-11-18)12-6-8-17-7-4-5-9-20(17)28-3/h4-9,15-16,18H,10-14H2,1-3H3,(H,22,27)/p+1/b8-6+