3-azanyl-5-[3-[methyl-(2-methylquinolin-1-ium-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[methyl-(2-methylquinolin-1-ium-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[methyl-(2-methylquinolin-1-ium-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[methyl-(2-methyl-4-quinolin-1-iumyl)amino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[methyl-(2-methylquinolin-1-ium-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[methyl-(2-methylquinolin-1-ium-4-yl)amino]propyl]-1H-pyrazole-4-carbonitrile Formula: C18H21N6+ MolecularWeight: 321.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N(C)CCCC3=C(C(=NN3)N)C#N

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N(C)CCCC3=C(C(=NN3)N)C#N

InChI

InChI=1S/C18H20N6/c1-12-10-17(13-6-3-4-7-15(13)21-12)24(2)9-5-8-16-14(11-19)18(20)23-22-16/h3-4,6-7,10H,5,8-9H2,1-2H3,(H3,20,22,23)/p+1