[5-pyrrol-1-yl-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-4-yl]methylazanium

Systemtic Name: [5-pyrrol-1-yl-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-4-yl]methylazanium Openeye Name: [5-pyrrol-1-yl-1-(4,6,8-trimethyl-2-quinolyl)pyrazol-4-yl]methylammonium CAS Name: [5-(1-pyrrolyl)-1-(4,6,8-trimethyl-2-quinolinyl)-4-pyrazolyl]methylammonium IUPAC Name: [5-pyrrol-1-yl-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-4-yl]methylazanium Traditional Name: [5-pyrrol-1-yl-1-(4,6,8-trimethyl-2-quinolyl)pyrazol-4-yl]methylammonium Formula: C20H22N5+ MolecularWeight: 332.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)N3C(=C(C=N3)C[NH3+])N4C=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)N3C(=C(C=N3)C[NH3+])N4C=CC=C4)C)C

InChI

InChI=1S/C20H21N5/c1-13-8-15(3)19-17(9-13)14(2)10-18(23-19)25-20(16(11-21)12-22-25)24-6-4-5-7-24/h4-10,12H,11,21H2,1-3H3/p+1