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

Systemtic Name: 2-methyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-methyl-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]-5-pyrrolidinosulfonyl-benzamide Formula: C24H38N3O3S+ MolecularWeight: 448.64182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NCC3(CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C24H37N3O3S/c1-20-10-11-21(31(29,30)27-16-8-9-17-27)18-22(20)23(28)25-19-24(12-4-2-5-13-24)26-14-6-3-7-15-26/h10-11,18H,2-9,12-17,19H2,1H3,(H,25,28)/p+1