4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-5-ium-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-5-ium-2-amine Openeye Name: 4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholino-1,3,5-triazin-5-ium-2-amine CAS Name: 4-(1-azepanyl)-N-(4-methoxyphenyl)-6-(4-morpholinyl)-1,3,5-triazin-5-ium-2-amine IUPAC Name: 4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-5-ium-2-amine Traditional Name: [4-(azepan-1-yl)-6-morpholino-s-triazin-5-ium-2-yl]-(4-methoxyphenyl)amine Formula: C20H29N6O2+ MolecularWeight: 385.48326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=[NH+]C(=N2)N3CCOCC3)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=[NH+]C(=N2)N3CCOCC3)N4CCCCCC4

InChI

InChI=1S/C20H28N6O2/c1-27-17-8-6-16(7-9-17)21-18-22-19(25-10-4-2-3-5-11-25)24-20(23-18)26-12-14-28-15-13-26/h6-9H,2-5,10-15H2,1H3,(H,21,22,23,24)/p+1