N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(4-chlorophenyl)methyl]-N-methyl-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-[(4-chlorophenyl)methyl]-N-methyl-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (4-chlorobenzyl)-methyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C18H23ClN3O2S+ MolecularWeight: 380.91212

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Cl)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)Cl)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H22ClN3O2S/c1-21(14-15-5-7-16(19)8-6-15)18-10-9-17(13-20-18)25(23,24)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3/p+1