1-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]indole

Systemtic Name: 1-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]indole Openeye Name: 1-methyl-3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]indole CAS Name: 1-methyl-3-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]indole IUPAC Name: 1-methyl-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]indole Traditional Name: 1-methyl-3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]indole Formula: C18H22N3O2S2+ MolecularWeight: 376.51618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H21N3O2S2/c1-19-13-15(16-5-2-3-6-17(16)19)14-20-8-10-21(11-9-20)25(22,23)18-7-4-12-24-18/h2-7,12-13H,8-11,14H2,1H3/p+1