N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-propan-2-yl-4-piperidin-1-iumyl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-mesitylsulfonyl-isonipecotamide Formula: C23H38N3O3S+ MolecularWeight: 436.63112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)C(C)C)C

InChI

InChI=1S/C23H37N3O3S/c1-16(2)25-10-8-21(9-11-25)24-23(27)20-6-12-26(13-7-20)30(28,29)22-18(4)14-17(3)15-19(22)5/h14-16,20-21H,6-13H2,1-5H3,(H,24,27)/p+1