methyl sulfate; 4-[[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenyl]amino]butanenitrile

Systemtic Name: methyl sulfate; 4-[[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenyl]amino]butanenitrile Openeye Name: methyl sulfate; 4-[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]anilino]butanenitrile CAS Name: methyl sulfate; 4-[4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]anilino]butanenitrile IUPAC Name: methyl sulfate; 4-[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]butanenitrile Traditional Name: methyl sulfate; 4-[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]anilino]butyronitrile Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)NCCCC#N)C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=CC=C(C=C3)NCCCC#N)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H25N3.CH4O4S/c1-23(2)20-8-4-5-9-21(20)26(3)22(23)15-12-18-10-13-19(14-11-18)25-17-7-6-16-24;1-5-6(2,3)4/h4-5,8-15H,6-7,17H2,1-3H3;1H3,(H,2,3,4)