4-(benzotriazol-1-ylmethyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)[NH+]5CCOCC5

InChI

InChI=1S/C25H31N5O2/c31-24(26-19-25(12-4-1-5-13-25)29-14-16-32-17-15-29)21-10-8-20(9-11-21)18-30-23-7-3-2-6-22(23)27-28-30/h2-3,6-11H,1,4-5,12-19H2,(H,26,31)/p+1