N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-1-[(3-methoxyphenyl)methyl]-4-triazolecarboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-m-anisyl-triazole-4-carboxamide Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=C(N=N2)C(=O)NCC[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=C(N=N2)C(=O)NCC[NH+]3CCCCCC3

InChI

InChI=1S/C19H27N5O2/c1-26-17-8-6-7-16(13-17)14-24-15-18(21-22-24)19(25)20-9-12-23-10-4-2-3-5-11-23/h6-8,13,15H,2-5,9-12,14H2,1H3,(H,20,25)/p+1