1-cyclopentyl-4-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-1,4-diazepan-1-ium

Systemtic Name: 1-cyclopentyl-4-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-1,4-diazepan-1-ium Openeye Name: 1-cyclopentyl-4-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-1,4-diazepan-1-ium CAS Name: 1-cyclopentyl-4-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-1,4-diazepan-1-ium IUPAC Name: 1-cyclopentyl-4-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-1,4-diazepan-1-ium Traditional Name: 1-cyclopentyl-4-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-1,4-diazepan-1-ium Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN=NC(=N2)N3CCC[NH+](CC3)C4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN=NC(=N2)N3CCC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C20H27N5O/c1-26-18-9-4-6-16(14-18)19-15-21-23-20(22-19)25-11-5-10-24(12-13-25)17-7-2-3-8-17/h4,6,9,14-15,17H,2-3,5,7-8,10-13H2,1H3/p+1