3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[1,1-dimethyl-4-(2-methylpyridin-4-yl)piperazin-1-ium-2-yl]propan-1-one

Systemtic Name: 3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[1,1-dimethyl-4-(2-methylpyridin-4-yl)piperazin-1-ium-2-yl]propan-1-one Openeye Name: 3-[(6-chloro-2-naphthyl)sulfonyl]-1-[1,1-dimethyl-4-(2-methyl-4-pyridyl)piperazin-1-ium-2-yl]propan-1-one CAS Name: 3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[1,1-dimethyl-4-(2-methyl-4-pyridinyl)-2-piperazin-1-iumyl]-1-propanone IUPAC Name: 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[1,1-dimethyl-4-(2-methylpyridin-4-yl)piperazin-1-ium-2-yl]propan-1-one Traditional Name: 3-[(6-chloro-2-naphthyl)sulfonyl]-1-[1,1-dimethyl-4-(2-methyl-4-pyridyl)piperazin-1-ium-2-yl]propan-1-one Formula: C25H29ClN3O3S+ MolecularWeight: 487.03406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N2CC[N+](C(C2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)(C)C

Isomeric SMILES

CC1=NC=CC(=C1)N2CC[N+](C(C2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)(C)C

InChI

InChI=1S/C25H29ClN3O3S/c1-18-14-22(8-10-27-18)28-11-12-29(2,3)24(17-28)25(30)9-13-33(31,32)23-7-5-19-15-21(26)6-4-20(19)16-23/h4-8,10,14-16,24H,9,11-13,17H2,1-3H3/q+1