(1-methylsulfonylindol-3-yl)-(1-piperidin-1-ylpiperidin-1-ium-1-yl)methanone hydrochloride

Systemtic Name: (1-methylsulfonylindol-3-yl)-(1-piperidin-1-ylpiperidin-1-ium-1-yl)methanone hydrochloride Openeye Name: (1-methylsulfonylindol-3-yl)-[1-(1-piperidyl)piperidin-1-ium-1-yl]methanone hydrochloride CAS Name: (1-methylsulfonyl-3-indolyl)-[1-(1-piperidinyl)-1-piperidin-1-iumyl]methanone hydrochloride IUPAC Name: (1-methylsulfonylindol-3-yl)-(1-piperidin-1-ylpiperidin-1-ium-1-yl)methanone hydrochloride Traditional Name: (1-mesylindol-3-yl)-(1-piperidinopiperidin-1-ium-1-yl)methanone hydrochloride Formula: C20H29ClN3O3S+ MolecularWeight: 426.98056

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C=C(C2=CC=CC=C21)C(=O)[N+]3(CCCCC3)N4CCCCC4.Cl

Isomeric SMILES

CS(=O)(=O)N1C=C(C2=CC=CC=C21)C(=O)[N+]3(CCCCC3)N4CCCCC4.Cl

InChI

InChI=1S/C20H28N3O3S.ClH/c1-27(25,26)22-16-18(17-10-4-5-11-19(17)22)20(24)23(14-8-3-9-15-23)21-12-6-2-7-13-21;/h4-5,10-11,16H,2-3,6-9,12-15H2,1H3;1H/q+1;