[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione

Systemtic Name: [1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: [1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione CAS Name: [1-[2-(2-methylphenoxy)ethyl]-3-indolyl]-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: [1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: [1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanethione Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C(=S)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1OCCN2C=C(C3=CC=CC=C32)C(=S)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H27N3OS/c1-18-7-3-6-10-22(18)27-16-15-26-17-20(19-8-4-5-9-21(19)26)23(28)25-13-11-24(2)12-14-25/h3-10,17H,11-16H2,1-2H3/p+1