methyl sulfate; 1,2,3-trimethyl-1-(phenylmethyl)benzo[e]indol-3-ium

Systemtic Name: methyl sulfate; 1,2,3-trimethyl-1-(phenylmethyl)benzo[e]indol-3-ium Openeye Name: 1-benzyl-1,2,3-trimethyl-benzo[e]indol-3-ium; methyl sulfate CAS Name: methyl sulfate; 1,2,3-trimethyl-1-(phenylmethyl)benzo[e]indol-3-ium IUPAC Name: 1-benzyl-1,2,3-trimethylbenzo[e]indol-3-ium; methyl sulfate Traditional Name: 1-benzyl-1,2,3-trimethyl-benz[e]indol-3-ium; methyl sulfate Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)CC3=CC=CC=C3)C4=CC=CC=C4C=C2)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(C1(C)CC3=CC=CC=C3)C4=CC=CC=C4C=C2)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H22N.CH4O4S/c1-16-22(2,15-17-9-5-4-6-10-17)21-19-12-8-7-11-18(19)13-14-20(21)23(16)3;1-5-6(2,3)4/h4-14H,15H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1