2-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methyl-1-pyridin-4-yl-piperidin-1-ium-4-amine

Systemtic Name: 2-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methyl-1-pyridin-4-yl-piperidin-1-ium-4-amine Openeye Name: 2-[(6-chloro-2-naphthyl)sulfonyl]-1-methyl-1-(4-pyridyl)piperidin-1-ium-4-amine CAS Name: 2-[(6-chloro-2-naphthalenyl)sulfonyl]-1-methyl-1-pyridin-4-yl-4-piperidin-1-iumamine IUPAC Name: 2-(6-chloronaphthalen-2-yl)sulfonyl-1-methyl-1-pyridin-4-ylpiperidin-1-ium-4-amine Traditional Name: [2-[(6-chloro-2-naphthyl)sulfonyl]-1-methyl-1-(4-pyridyl)piperidin-1-ium-4-yl]amine Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)N)C4=CC=NC=C4

Isomeric SMILES

C[N+]1(CCC(CC1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)N)C4=CC=NC=C4

InChI

InChI=1S/C21H23ClN3O2S/c1-25(19-6-9-24-10-7-19)11-8-18(23)14-21(25)28(26,27)20-5-3-15-12-17(22)4-2-16(15)13-20/h2-7,9-10,12-13,18,21H,8,11,14,23H2,1H3/q+1