N-(2-methyl-2,3-dihydroindol-1-yl)-1-(1-methylquinolin-1-ium-4-yl)methanimine sulfate

Systemtic Name: N-(2-methyl-2,3-dihydroindol-1-yl)-1-(1-methylquinolin-1-ium-4-yl)methanimine sulfate Openeye Name: N-(2-methylindolin-1-yl)-1-(1-methylquinolin-1-ium-4-yl)methanimine sulfate CAS Name: N-(2-methyl-2,3-dihydroindol-1-yl)-1-(1-methyl-4-quinolin-1-iumyl)methanimine sulfate IUPAC Name: N-(2-methyl-2,3-dihydroindol-1-yl)-1-(1-methylquinolin-1-ium-4-yl)methanimine sulfate Traditional Name: (E)-(2-methylindolin-1-yl)-[(1-methylquinolin-1-ium-4-yl)methylene]amine sulfate Formula: C40H40N6O4S MolecularWeight: 700.8484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1N=CC3=CC=[N+](C4=CC=CC=C34)C.CC1CC2=CC=CC=C2N1N=CC3=CC=[N+](C4=CC=CC=C34)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1N(C2=CC=CC=C2C1)/N=C/C3=CC=[N+](C4=CC=CC=C34)C.CC1N(C2=CC=CC=C2C1)/N=C/C3=CC=[N+](C4=CC=CC=C34)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C20H20N3.H2O4S/c2*1-15-13-16-7-3-5-9-19(16)23(15)21-14-17-11-12-22(2)20-10-6-4-8-18(17)20;1-5(2,3)4/h2*3-12,14-15H,13H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2