1-cyclohexyl-N-(1-methylpiperidin-1-ium-4-yl)-N-phenethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-cyclohexyl-N-(1-methylpiperidin-1-ium-4-yl)-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-cyclohexyl-N-(1-methylpiperidin-1-ium-4-yl)-N-phenethyl-triazole-4-carboxamide CAS Name: 1-cyclohexyl-N-(1-methyl-4-piperidin-1-iumyl)-N-phenethyl-4-triazolecarboxamide IUPAC Name: 1-cyclohexyl-N-(1-methylpiperidin-1-ium-4-yl)-N-phenethyltriazole-4-carboxamide Traditional Name: 1-cyclohexyl-N-(1-methylpiperidin-1-ium-4-yl)-N-phenethyl-triazole-4-carboxamide Formula: C23H34N5O+ MolecularWeight: 396.54896

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)C3=CN(N=N3)C4CCCCC4

Isomeric SMILES

C[NH+]1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)C3=CN(N=N3)C4CCCCC4

InChI

InChI=1S/C23H33N5O/c1-26-15-13-20(14-16-26)27(17-12-19-8-4-2-5-9-19)23(29)22-18-28(25-24-22)21-10-6-3-7-11-21/h2,4-5,8-9,18,20-21H,3,6-7,10-17H2,1H3/p+1