dihydrogen phosphate; 3-[ethyl-[3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenyl]amino]propanenitrile

Systemtic Name: dihydrogen phosphate; 3-[ethyl-[3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]phenyl]amino]propanenitrile Openeye Name: dihydrogen phosphate; 3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]anilino]propanenitrile CAS Name: dihydrogen phosphate; 3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenyl]anilino]propanenitrile IUPAC Name: dihydrogen phosphate; 3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile Traditional Name: dihydrogen phosphate; 3-[N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]anilino]propionitrile Formula: C25H32N3O4P MolecularWeight: 469.513041

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC(=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)C)C.OP(=O)(O)[O-]

Isomeric SMILES

CCN(CCC#N)C1=CC(=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3C2(C)C)C)C.OP(=O)(O)[O-]

InChI

InChI=1S/C25H30N3.H3O4P/c1-6-28(17-9-16-26)21-14-12-20(19(2)18-21)13-15-24-25(3,4)22-10-7-8-11-23(22)27(24)5;1-5(2,3)4/h7-8,10-15,18H,6,9,17H2,1-5H3;(H3,1,2,3,4)/q+1;/p-1