5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(5-methyl-2-furyl)-N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1,2,4-triazin-3-amine CAS Name: 5-(5-methyl-2-furanyl)-N-[[1-(4-morpholin-4-iumyl)cycloheptyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(5-methyl-2-furyl)-1,2,4-triazin-3-yl]-[(1-morpholin-4-ium-4-ylcycloheptyl)methyl]amine Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CN=NC(=N2)NCC3(CCCCCC3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)C2=CN=NC(=N2)NCC3(CCCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C20H29N5O2/c1-16-6-7-18(27-16)17-14-22-24-19(23-17)21-15-20(8-4-2-3-5-9-20)25-10-12-26-13-11-25/h6-7,14H,2-5,8-13,15H2,1H3,(H,21,23,24)/p+1