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

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1-(naphthalen-1-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1-(1-naphthylmethyl)triazole-4-carboxamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cycloheptyl]methyl]-1-(1-naphthalenylmethyl)-4-triazolecarboxamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide Traditional Name: N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1-(1-naphthylmethyl)triazole-4-carboxamide Formula: C26H34N5O2+ MolecularWeight: 448.58046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC(=O)C2=CN(N=N2)CC3=CC=CC4=CC=CC=C43)[NH+]5CCOCC5

Isomeric SMILES

C1CCCC(CC1)(CNC(=O)C2=CN(N=N2)CC3=CC=CC4=CC=CC=C43)[NH+]5CCOCC5

InChI

InChI=1S/C26H33N5O2/c32-25(27-20-26(12-5-1-2-6-13-26)30-14-16-33-17-15-30)24-19-31(29-28-24)18-22-10-7-9-21-8-3-4-11-23(21)22/h3-4,7-11,19H,1-2,5-6,12-18,20H2,(H,27,32)/p+1