1-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-isobutyl-triazole-4-carboxamide CAS Name: 1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-N-(2-methylpropyl)-4-triazolecarboxamide IUPAC Name: 1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide Traditional Name: 1-[1-(3-ethoxy-4-methoxy-benzyl)piperidin-1-ium-4-yl]-N-isobutyl-triazole-4-carboxamide Formula: C22H34N5O3+ MolecularWeight: 416.53706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCC(C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)NCC(C)C)OC

InChI

InChI=1S/C22H33N5O3/c1-5-30-21-12-17(6-7-20(21)29-4)14-26-10-8-18(9-11-26)27-15-19(24-25-27)22(28)23-13-16(2)3/h6-7,12,15-16,18H,5,8-11,13-14H2,1-4H3,(H,23,28)/p+1