6-[4-(diphenylmethyl)piperazin-4-ium-1-yl]phenanthridin-5-ium

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-4-ium-1-yl]phenanthridin-5-ium Openeye Name: 6-(4-benzhydrylpiperazin-4-ium-1-yl)phenanthridin-5-ium CAS Name: 6-[4-(diphenylmethyl)-1-piperazin-4-iumyl]phenanthridin-5-ium IUPAC Name: 6-(4-benzhydrylpiperazin-4-ium-1-yl)phenanthridin-5-ium Traditional Name: 6-(4-benzhydrylpiperazin-4-ium-1-yl)phenanthridin-5-ium Formula: C30H29N3+2 MolecularWeight: 431.57136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=[NH+]C5=CC=CC=C5C6=CC=CC=C64

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=[NH+]C5=CC=CC=C5C6=CC=CC=C64

InChI

InChI=1S/C30H27N3/c1-3-11-23(12-4-1)29(24-13-5-2-6-14-24)32-19-21-33(22-20-32)30-27-17-8-7-15-25(27)26-16-9-10-18-28(26)31-30/h1-18,29H,19-22H2/p+2