4-(azepan-1-ium-1-ylmethyl)-1-(4-chlorophenyl)sulfonyl-piperidin-4-ol

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-1-(4-chlorophenyl)sulfonyl-piperidin-4-ol Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-1-(4-chlorophenyl)sulfonyl-piperidin-4-ol CAS Name: 4-(1-azepan-1-iumylmethyl)-1-(4-chlorophenyl)sulfonyl-4-piperidinol IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-1-(4-chlorophenyl)sulfonylpiperidin-4-ol Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-1-(4-chlorophenyl)sulfonyl-piperidin-4-ol Formula: C18H28ClN2O3S+ MolecularWeight: 387.94452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C18H27ClN2O3S/c19-16-5-7-17(8-6-16)25(23,24)21-13-9-18(22,10-14-21)15-20-11-3-1-2-4-12-20/h5-8,22H,1-4,9-15H2/p+1