5-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]methylamino]-6-methyl-2H-1,2,4-triazin-3-one

Systemtic Name: 5-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]methylamino]-6-methyl-2H-1,2,4-triazin-3-one Openeye Name: 5-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]methylamino]-6-methyl-2H-1,2,4-triazin-3-one CAS Name: 5-[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]methylamino]-6-methyl-2H-1,2,4-triazin-3-one IUPAC Name: 5-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]methylamino]-6-methyl-2H-1,2,4-triazin-3-one Traditional Name: 5-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]methylamino]-6-methyl-2H-1,2,4-triazin-3-one Formula: C17H23ClN5O+ MolecularWeight: 348.85042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N=C1NCC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NNC(=O)N=C1NCC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H22ClN5O/c1-12-16(20-17(24)22-21-12)19-10-13-6-8-23(9-7-13)11-14-2-4-15(18)5-3-14/h2-5,13H,6-11H2,1H3,(H2,19,20,22,24)/p+1