[2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methyl-3-piperazin-1-yl-pyridin-1-ium-2-yl]cyclohexa-2,4-dien-1-ylidene]methanone

Systemtic Name: [2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methyl-3-piperazin-1-yl-pyridin-1-ium-2-yl]cyclohexa-2,4-dien-1-ylidene]methanone Openeye Name: [2-[4-[(6-chloro-2-naphthyl)sulfonyl]-1-methyl-3-piperazin-1-yl-pyridin-1-ium-2-yl]cyclohexa-2,4-dien-1-ylidene]methanone CAS Name: [2-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-methyl-3-(1-piperazinyl)-2-pyridin-1-iumyl]-1-cyclohexa-2,4-dienylidene]methanone IUPAC Name: [2-[4-(6-chloronaphthalen-2-yl)sulfonyl-1-methyl-3-piperazin-1-ylpyridin-1-ium-2-yl]cyclohexa-2,4-dien-1-ylidene]methanone Traditional Name: [2-[4-[(6-chloro-2-naphthyl)sulfonyl]-1-methyl-3-piperazino-pyridin-1-ium-2-yl]cyclohexa-2,4-dien-1-ylidene]methanone Formula: C27H25ClN3O3S+ MolecularWeight: 507.0237

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)N4CCNCC4)C5=CC=CCC5=C=O

Isomeric SMILES

C[N+]1=C(C(=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)N4CCNCC4)C5=CC=CCC5=C=O

InChI

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