1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(2-naphthylsulfonyl)piperazin-1-ium Formula: C22H24BrN2O3S+ MolecularWeight: 476.40656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C22H23BrN2O3S/c1-28-22-9-6-17(14-21(22)23)16-24-10-12-25(13-11-24)29(26,27)20-8-7-18-4-2-3-5-19(18)15-20/h2-9,14-15H,10-13,16H2,1H3/p+1