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

Systemtic Name: N-(2-hydroxyethyl)-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(2-hydroxyethyl)-1-[1-[(4-methoxy-1-naphthyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: N-(2-hydroxyethyl)-1-[1-[(4-methoxy-1-naphthalenyl)methyl]-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(2-hydroxyethyl)-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Traditional Name: N-(2-hydroxyethyl)-1-[1-[(4-methoxy-1-naphthyl)methyl]piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C[NH+]3CCC(CC3)N4C=C(N=N4)C(=O)NCCO

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C[NH+]3CCC(CC3)N4C=C(N=N4)C(=O)NCCO

InChI

InChI=1S/C22H27N5O3/c1-30-21-7-6-16(18-4-2-3-5-19(18)21)14-26-11-8-17(9-12-26)27-15-20(24-25-27)22(29)23-10-13-28/h2-7,15,17,28H,8-14H2,1H3,(H,23,29)/p+1