hydrogen sulfate; (2E)-1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]indole

Systemtic Name: hydrogen sulfate; (2E)-1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]indole Openeye Name: hydrogen sulfate; (2E)-1,3,3-trimethyl-2-[2-(2-methylindolin-1-ium-1-ylidene)ethylidene]indoline CAS Name: hydrogen sulfate; (2E)-1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]indole IUPAC Name: hydrogen sulfate; (2E)-1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]indole Traditional Name: (2E)-1,3,3-trimethyl-2-[2-(2-methylindolin-1-ium-1-ylidene)ethylidene]indoline bisulfate Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2[N+]1=CC=C3C(C4=CC=CC=C4N3C)(C)C.OS(=O)(=O)[O-]

Isomeric SMILES

CC1CC2=CC=CC=C2[N+]1=C/C=C/3\C(C4=CC=CC=C4N3C)(C)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C22H25N2.H2O4S/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;1-5(2,3)4/h5-14,16H,15H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1