N-[(2,5-dimethyl-1-quinolin-6-yl-pyrrol-1-ium-3-ylidene)methyl]-1,2,4-triazol-4-amine

Systemtic Name: N-[(2,5-dimethyl-1-quinolin-6-yl-pyrrol-1-ium-3-ylidene)methyl]-1,2,4-triazol-4-amine Openeye Name: N-[[2,5-dimethyl-1-(6-quinolyl)pyrrol-1-ium-3-ylidene]methyl]-1,2,4-triazol-4-amine CAS Name: N-[[2,5-dimethyl-1-(6-quinolinyl)-3-pyrrol-1-iumylidene]methyl]-1,2,4-triazol-4-amine IUPAC Name: N-[(2,5-dimethyl-1-quinolin-6-ylpyrrol-1-ium-3-ylidene)methyl]-1,2,4-triazol-4-amine Traditional Name: [2,5-dimethyl-1-(6-quinolyl)pyrrol-1-ium-3-ylidene]methyl-(1,2,4-triazol-4-yl)amine Formula: C18H17N6+ MolecularWeight: 317.36778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNN2C=NN=C2)C(=[N+]1C3=CC4=C(C=C3)N=CC=C4)C

Isomeric SMILES

CC1=CC(=CNN2C=NN=C2)C(=[N+]1C3=CC4=C(C=C3)N=CC=C4)C

InChI

InChI=1S/C18H16N6/c1-13-8-16(10-22-23-11-20-21-12-23)14(2)24(13)17-5-6-18-15(9-17)4-3-7-19-18/h3-12H,1-2H3/p+1