6-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenanthridine

Systemtic Name: 6-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenanthridine Openeye Name: 6-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenanthridine CAS Name: 6-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenanthridine IUPAC Name: 6-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenanthridine Traditional Name: 6-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenanthridine Formula: C25H26N3O3S+ MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C25H25N3O3S/c1-31-19-10-12-20(13-11-19)32(29,30)28-16-14-27(15-17-28)18-25-23-8-3-2-6-21(23)22-7-4-5-9-24(22)26-25/h2-13H,14-18H2,1H3/p+1