1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(m-tolylmethyl)piperazin-4-ium CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-methylbenzyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-15-4-3-5-17(12-15)14-20-8-10-21(11-9-20)27(25,26)19-13-18(22(23)24)7-6-16(19)2/h3-7,12-13H,8-11,14H2,1-2H3/p+1