2-[6-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-ethyl-amino]-2-methyl-3H-inden-1-yl]ethyl-ethyl-dimethyl-azanium iodide

Systemtic Name: 2-[6-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-ethyl-amino]-2-methyl-3H-inden-1-yl]ethyl-ethyl-dimethyl-azanium iodide Openeye Name: 2-[6-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-ethyl-amino]-2-methyl-3H-inden-1-yl]ethyl-ethyl-dimethyl-ammonium iodide CAS Name: 2-[6-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-ethylamino]-2-methyl-3H-inden-1-yl]ethyl-ethyl-dimethylammonium iodide IUPAC Name: 2-[6-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-ethylamino]-2-methyl-3H-inden-1-yl]ethyl-ethyl-dimethylazanium iodide Traditional Name: 2-[6-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-ethyl-amino]-2-methyl-3H-inden-1-yl]ethyl-ethyl-dimethyl-ammonium iodide Formula: C27H34ClIN2O2S2 MolecularWeight: 645.05853

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(CC(=C2CC[N+](C)(C)CC)C)C=C1)S(=O)(=O)C3=C(C4=C(S3)C=CC(=C4)Cl)C.[I-]

Isomeric SMILES

CCN(C1=CC2=C(CC(=C2CC[N+](C)(C)CC)C)C=C1)S(=O)(=O)C3=C(C4=C(S3)C=CC(=C4)Cl)C.[I-]

InChI

InChI=1S/C27H34ClN2O2S2.HI/c1-7-29(34(31,32)27-19(4)24-16-21(28)10-12-26(24)33-27)22-11-9-20-15-18(3)23(25(20)17-22)13-14-30(5,6)8-2;/h9-12,16-17H,7-8,13-15H2,1-6H3;1H/q+1;/p-1