N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1-phenethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1-phenethyl-triazole-4-carboxamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cycloheptyl]methyl]-1-phenethyl-4-triazolecarboxamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1-phenethyltriazole-4-carboxamide Traditional Name: N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1-phenethyl-triazole-4-carboxamide Formula: C23H34N5O2+ MolecularWeight: 412.54836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC(=O)C2=CN(N=N2)CCC3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

C1CCCC(CC1)(CNC(=O)C2=CN(N=N2)CCC3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C23H33N5O2/c29-22(21-18-28(26-25-21)13-10-20-8-4-3-5-9-20)24-19-23(11-6-1-2-7-12-23)27-14-16-30-17-15-27/h3-5,8-9,18H,1-2,6-7,10-17,19H2,(H,24,29)/p+1