1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-(m-tolylmethyl)piperazin-4-ium CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-(3-methylbenzyl)piperazin-4-ium Formula: C18H21ClN3O4S+ MolecularWeight: 410.89504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O4S/c1-14-3-2-4-15(11-14)13-20-7-9-21(10-8-20)27(25,26)16-5-6-17(19)18(12-16)22(23)24/h2-6,11-12H,7-10,13H2,1H3/p+1