2-[[1-[(3-chlorophenyl)methyl]-1,2,3-triazol-4-yl]carbonyl-cyclohexyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-[(3-chlorophenyl)methyl]-1,2,3-triazol-4-yl]carbonyl-cyclohexyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-[(3-chlorophenyl)methyl]triazole-4-carbonyl]-cyclohexyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-[(3-chlorophenyl)methyl]-4-triazolyl]-oxomethyl]-cyclohexylamino]ethyl-dimethylammonium IUPAC Name: 2-[[1-[(3-chlorophenyl)methyl]triazole-4-carbonyl]-cyclohexylamino]ethyl-dimethylazanium Traditional Name: 2-[[1-(3-chlorobenzyl)triazole-4-carbonyl]-cyclohexyl-amino]ethyl-dimethyl-ammonium Formula: C20H29ClN5O+ MolecularWeight: 390.93016

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1CCCCC1)C(=O)C2=CN(N=N2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+](C)CCN(C1CCCCC1)C(=O)C2=CN(N=N2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H28ClN5O/c1-24(2)11-12-26(18-9-4-3-5-10-18)20(27)19-15-25(23-22-19)14-16-7-6-8-17(21)13-16/h6-8,13,15,18H,3-5,9-12,14H2,1-2H3/p+1