4-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-methyl-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-3-piperidinosulfonyl-benzamide Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-18-9-15-24(16-10-18)12-6-11-23-22(26)20-8-7-19(2)21(17-20)29(27,28)25-13-4-3-5-14-25/h7-8,17-18H,3-6,9-16H2,1-2H3,(H,23,26)/p+1