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

Systemtic Name: 1-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[1-(3-ethoxy-4-methoxy-benzyl)piperidin-1-ium-4-yl]-N-isopropyl-triazole-4-carboxamide Formula: C21H32N5O3+ MolecularWeight: 402.51048

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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)NC(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O3/c1-5-29-20-12-16(6-7-19(20)28-4)13-25-10-8-17(9-11-25)26-14-18(23-24-26)21(27)22-15(2)3/h6-7,12,14-15,17H,5,8-11,13H2,1-4H3,(H,22,27)/p+1