4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-chloro-3-indolin-1-ylsulfonyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-chloro-3-indolin-1-ylsulfonyl-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide Formula: C22H27ClN3O3S+ MolecularWeight: 448.98608

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C22H26ClN3O3S/c1-24-12-10-18(11-13-24)25(2)22(27)17-7-8-19(23)21(15-17)30(28,29)26-14-9-16-5-3-4-6-20(16)26/h3-8,15,18H,9-14H2,1-2H3/p+1