1-butyl-4-[(E)-2-[6-(dimethylamino)-1-methyl-quinolin-1-ium-2-yl]ethenyl]-2,5-dimethyl-pyrrole-3-carbaldehyde; methanesulfonate

Systemtic Name: 1-butyl-4-[(E)-2-[6-(dimethylamino)-1-methyl-quinolin-1-ium-2-yl]ethenyl]-2,5-dimethyl-pyrrole-3-carbaldehyde; methanesulfonate Openeye Name: 1-butyl-4-[(E)-2-[6-(dimethylamino)-1-methyl-quinolin-1-ium-2-yl]vinyl]-2,5-dimethyl-pyrrole-3-carbaldehyde; methanesulfonate CAS Name: 1-butyl-4-[(E)-2-[6-(dimethylamino)-1-methyl-2-quinolin-1-iumyl]ethenyl]-2,5-dimethyl-3-pyrrolecarboxaldehyde; methanesulfonate IUPAC Name: 1-butyl-4-[(E)-2-[6-(dimethylamino)-1-methylquinolin-1-ium-2-yl]ethenyl]-2,5-dimethylpyrrole-3-carbaldehyde; methanesulfonate Traditional Name: 1-butyl-4-[(E)-2-[6-(dimethylamino)-1-methyl-quinolin-1-ium-2-yl]vinyl]-2,5-dimethyl-pyrrole-3-carbaldehyde mesylate Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1C)C=O)C=CC2=[N+](C3=C(C=C2)C=C(C=C3)N(C)C)C)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCN1C(=C(C(=C1C)C=O)/C=C/C2=[N+](C3=C(C=C2)C=C(C=C3)N(C)C)C)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C25H32N3O.CH4O3S/c1-7-8-15-28-18(2)23(24(17-29)19(28)3)13-11-21-10-9-20-16-22(26(4)5)12-14-25(20)27(21)6;1-5(2,3)4/h9-14,16-17H,7-8,15H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1