1-butyl-5-phenyl-3-piperidin-1-yl-1,2,4-triazin-1-ium

Systemtic Name: 1-butyl-5-phenyl-3-piperidin-1-yl-1,2,4-triazin-1-ium Openeye Name: 1-butyl-5-phenyl-3-(1-piperidyl)-1,2,4-triazin-1-ium CAS Name: 1-butyl-5-phenyl-3-(1-piperidinyl)-1,2,4-triazin-1-ium IUPAC Name: 1-butyl-5-phenyl-3-piperidin-1-yl-1,2,4-triazin-1-ium Traditional Name: 1-butyl-5-phenyl-3-piperidino-1,2,4-triazin-1-ium Formula: C18H25N4+ MolecularWeight: 297.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=NC(=NC(=C1)C2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

CCCC[N+]1=NC(=NC(=C1)C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C18H25N4/c1-2-3-14-22-15-17(16-10-6-4-7-11-16)19-18(20-22)21-12-8-5-9-13-21/h4,6-7,10-11,15H,2-3,5,8-9,12-14H2,1H3/q+1