1-[(4-nitrophenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium Openeye Name: 1-[(4-nitrophenyl)methyl]-4-tetralin-6-ylsulfonyl-piperazin-1-ium CAS Name: 1-[(4-nitrophenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium Traditional Name: 1-(4-nitrobenzyl)-4-tetralin-6-ylsulfonyl-piperazin-1-ium Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c25-24(26)20-8-5-17(6-9-20)16-22-11-13-23(14-12-22)29(27,28)21-10-7-18-3-1-2-4-19(18)15-21/h5-10,15H,1-4,11-14,16H2/p+1