2-azanyl-4-[2-[(4-bromophenyl)methyl]-5-phenyl-1H-pyrazol-2-ium-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[2-[(4-bromophenyl)methyl]-5-phenyl-1H-pyrazol-2-ium-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[2-[(4-bromophenyl)methyl]-5-phenyl-1H-pyrazol-2-ium-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[2-[(4-bromophenyl)methyl]-5-phenyl-1H-pyrazol-2-ium-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[2-[(4-bromophenyl)methyl]-5-phenyl-1H-pyrazol-2-ium-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[2-(4-bromobenzyl)-5-phenyl-1H-pyrazol-2-ium-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H23BrN5+ MolecularWeight: 485.39832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(N[N+](=C3)CC4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(N[N+](=C3)CC4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C26H22BrN5/c27-19-12-10-17(11-13-19)15-32-16-22(25(31-32)18-6-2-1-3-7-18)24-20-8-4-5-9-23(20)30-26(29)21(24)14-28/h1-3,6-7,10-13,16H,4-5,8-9,15H2,(H2,29,30)/p+1