1-(3-nitrophenyl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-nitrophenyl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-isopropylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(3-nitrophenyl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-nitrophenyl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-isopropylbenzyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-16(2)18-8-6-17(7-9-18)15-21-10-12-22(13-11-21)28(26,27)20-5-3-4-19(14-20)23(24)25/h3-9,14,16H,10-13,15H2,1-2H3/p+1