1-naphthalen-2-ylsulfonyl-4-[(3-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-[(3-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-naphthylsulfonyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(2-naphthalenylsulfonyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-naphthylsulfonyl)-4-(3-nitrobenzyl)piperazin-4-ium Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21N3O4S/c25-24(26)20-7-3-4-17(14-20)16-22-10-12-23(13-11-22)29(27,28)21-9-8-18-5-1-2-6-19(18)15-21/h1-9,14-15H,10-13,16H2/p+1