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

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]triazole-4-carboxamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-1-[(1R)-1-phenylethyl]-4-triazolecarboxamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]triazole-4-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]triazole-4-carboxamide Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=C(N=N2)C(=O)NCC[NH+]3CCCCCC3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C=C(N=N2)C(=O)NCC[NH+]3CCCCCC3

InChI

InChI=1S/C19H27N5O/c1-16(17-9-5-4-6-10-17)24-15-18(21-22-24)19(25)20-11-14-23-12-7-2-3-8-13-23/h4-6,9-10,15-16H,2-3,7-8,11-14H2,1H3,(H,20,25)/p+1/t16-/m1/s1