[4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methoxy-piperazin-1-ium-1-yl]-(3-pyridin-4-ylphenyl)methanone

Systemtic Name: [4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methoxy-piperazin-1-ium-1-yl]-(3-pyridin-4-ylphenyl)methanone Openeye Name: [4-[(6-chloro-2-naphthyl)sulfonyl]-1-methoxy-piperazin-1-ium-1-yl]-[3-(4-pyridyl)phenyl]methanone CAS Name: [4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-methoxy-1-piperazin-1-iumyl]-(3-pyridin-4-ylphenyl)methanone IUPAC Name: [4-(6-chloronaphthalen-2-yl)sulfonyl-1-methoxypiperazin-1-ium-1-yl]-(3-pyridin-4-ylphenyl)methanone Traditional Name: [4-[(6-chloro-2-naphthyl)sulfonyl]-1-methoxy-piperazin-1-ium-1-yl]-[3-(4-pyridyl)phenyl]methanone Formula: C27H25ClN3O4S+ MolecularWeight: 523.0231

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Descriptors Computed from Structure

Canonical SMILES:

CO[N+]1(CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)C4=CC=CC(=C4)C5=CC=NC=C5

Isomeric SMILES

CO[N+]1(CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)C4=CC=CC(=C4)C5=CC=NC=C5

InChI

InChI=1S/C27H25ClN3O4S/c1-35-31(27(32)24-4-2-3-21(17-24)20-9-11-29-12-10-20)15-13-30(14-16-31)36(33,34)26-8-6-22-18-25(28)7-5-23(22)19-26/h2-12,17-19H,13-16H2,1H3/q+1