1-[2,6-bis(chloranyl)phenyl]sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2,6-bis(chloranyl)phenyl]sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(2,6-dichlorophenyl)sulfonyl-N-(1-isopropylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(2,6-dichlorophenyl)sulfonyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(2,6-dichlorophenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(2,6-dichlorophenyl)sulfonyl-N-(1-isopropylpiperidin-1-ium-4-yl)isonipecotamide Formula: C20H30Cl2N3O3S+ MolecularWeight: 463.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C20H29Cl2N3O3S/c1-14(2)24-10-8-16(9-11-24)23-20(26)15-6-12-25(13-7-15)29(27,28)19-17(21)4-3-5-18(19)22/h3-5,14-16H,6-13H2,1-2H3,(H,23,26)/p+1