2-chloranyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-5-pyrrolidinosulfonyl-benzamide Formula: C23H35ClN3O3S+ MolecularWeight: 469.0603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)[NH+]4CCCCC4

InChI

InChI=1S/C23H34ClN3O3S/c24-21-10-9-19(31(29,30)27-15-7-8-16-27)17-20(21)22(28)25-18-23(11-3-1-4-12-23)26-13-5-2-6-14-26/h9-10,17H,1-8,11-16,18H2,(H,25,28)/p+1