N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]azepane-1-sulfonamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]azepane-1-sulfonamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]azepane-1-sulfonamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-1-azepanesulfonamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]azepane-1-sulfonamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]azepane-1-sulfonamide Formula: C18H29ClN3O2S+ MolecularWeight: 386.95976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H28ClN3O2S/c19-17-7-5-16(6-8-17)15-21-13-9-18(10-14-21)20-25(23,24)22-11-3-1-2-4-12-22/h5-8,18,20H,1-4,9-15H2/p+1