4-methylbenzenesulfonate; [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-yl-methanone

Systemtic Name: 4-methylbenzenesulfonate; [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-yl-methanone Openeye Name: 4-methylbenzenesulfonate; [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-(1-naphthyl)methanone CAS Name: 4-methylbenzenesulfonate; [1-[2-(4-methyl-4-morpholin-4-iumyl)ethyl]-3-indolyl]-(1-naphthalenyl)methanone IUPAC Name: 4-methylbenzenesulfonate; [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-naphthalen-1-ylmethanone Traditional Name: [1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]indol-3-yl]-(1-naphthyl)methanone tosylate Formula: C33H34N2O5S MolecularWeight: 570.69846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCOCC1)CCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCOCC1)CCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H27N2O2.C7H8O3S/c1-28(15-17-30-18-16-28)14-13-27-19-24(22-10-4-5-12-25(22)27)26(29)23-11-6-8-20-7-2-3-9-21(20)23;1-6-2-4-7(5-3-6)11(8,9)10/h2-12,19H,13-18H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1