[4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-[(3-chlorophenyl)thio]-3-nitrophenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-(3-chlorophenyl)sulfanyl-3-nitrophenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[(3-chlorophenyl)thio]-3-nitro-phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H20ClN4O3S+ MolecularWeight: 455.9372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=C(C=C3)SC4=CC(=CC=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=C(C=C3)SC4=CC(=CC=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN4O3S/c23-17-4-3-5-18(15-17)31-20-8-7-16(14-19(20)27(29)30)22(28)26-12-10-25(11-13-26)21-6-1-2-9-24-21/h1-9,14-15H,10-13H2/p+1