6-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]phenanthridine

Systemtic Name: 6-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]phenanthridine Openeye Name: 6-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]phenanthridine CAS Name: 6-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]phenanthridine IUPAC Name: 6-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]phenanthridine Traditional Name: 6-[(4-besylpiperazin-1-ium-1-yl)methyl]phenanthridine Formula: C24H24N3O2S+ MolecularWeight: 418.53126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H23N3O2S/c28-30(29,19-8-2-1-3-9-19)27-16-14-26(15-17-27)18-24-22-12-5-4-10-20(22)21-11-6-7-13-23(21)25-24/h1-13H,14-18H2/p+1