N,N-dimethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline phosphate

Systemtic Name: N,N-dimethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline phosphate Openeye Name: N,N-dimethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]aniline phosphate CAS Name: N,N-dimethyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]aniline phosphate IUPAC Name: N,N-dimethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline phosphate Traditional Name: dimethyl-[4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]phenyl]amine phosphate Formula: C63H75N6O4P MolecularWeight: 1011.281161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(C(=[N+](C2=CC=CC=C12)C)/C=C/C3=CC=C(C=C3)N(C)C)C.CC1(C(=[N+](C2=CC=CC=C12)C)/C=C/C3=CC=C(C=C3)N(C)C)C.CC1(C(=[N+](C2=CC=CC=C12)C)/C=C/C3=CC=C(C=C3)N(C)C)C.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/3C21H25N2.H3O4P/c3*1-21(2)18-8-6-7-9-19(18)23(5)20(21)15-12-16-10-13-17(14-11-16)22(3)4;1-5(2,3)4/h3*6-15H,1-5H3;(H3,1,2,3,4)/q3*+1;/p-3