1-[(3-bromanyl-8,9-dihydro-7H-phenalen-1-yl)sulfonyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(3-bromanyl-8,9-dihydro-7H-phenalen-1-yl)sulfonyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(3-bromo-8,9-dihydro-7H-phenalen-1-yl)sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(3-bromo-8,9-dihydro-7H-phenalen-1-yl)sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(3-bromo-8,9-dihydro-7H-phenalen-1-yl)sulfonyl]-4-methylpiperazin-4-ium Traditional Name: 1-[(3-bromo-8,9-dihydro-7H-phenalen-1-yl)sulfonyl]-4-methyl-piperazin-4-ium Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C3C=CC=C4C3=C2CCC4)Br

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C3C=CC=C4C3=C2CCC4)Br

InChI

InChI=1S/C18H21BrN2O2S/c1-20-8-10-21(11-9-20)24(22,23)17-12-16(19)14-6-2-4-13-5-3-7-15(17)18(13)14/h2,4,6,12H,3,5,7-11H2,1H3/p+1