1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-(1-veratrylpiperidin-1-ium-4-yl)triazole-4-carboxamide Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H29N5O3/c1-14(2)21-20(26)17-13-25(23-22-17)16-7-9-24(10-8-16)12-15-5-6-18(27-3)19(11-15)28-4/h5-6,11,13-14,16H,7-10,12H2,1-4H3,(H,21,26)/p+1