[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]-[4-(1-methylpyridin-1-ium-4-yl)phenyl]methanone

Systemtic Name: [4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]-[4-(1-methylpyridin-1-ium-4-yl)phenyl]methanone Openeye Name: [4-[(6-chloro-2-naphthyl)sulfonyl]piperazin-1-yl]-[4-(1-methylpyridin-1-ium-4-yl)phenyl]methanone CAS Name: [4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-[4-(1-methyl-4-pyridin-1-iumyl)phenyl]methanone IUPAC Name: [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-[4-(1-methylpyridin-1-ium-4-yl)phenyl]methanone Traditional Name: [4-[(6-chloro-2-naphthyl)sulfonyl]piperazino]-[4-(1-methylpyridin-1-ium-4-yl)phenyl]methanone Formula: C27H25ClN3O3S+ MolecularWeight: 507.0237

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN3O3S/c1-29-12-10-21(11-13-29)20-2-4-22(5-3-20)27(32)30-14-16-31(17-15-30)35(33,34)26-9-7-23-18-25(28)8-6-24(23)19-26/h2-13,18-19H,14-17H2,1H3/q+1