1-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(1,2-dihydroacenaphthylen-5-ylsulfonyl)piperazin-1-ium CAS Name: 1-(1,2-dihydroacenaphthylen-5-ylsulfonyl)-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(1,2-dihydroacenaphthylen-5-ylsulfonyl)piperazin-1-ium Traditional Name: 1-acenaphthen-5-ylsulfonyl-4-benzyl-piperazin-4-ium Formula: C23H25N2O2S+ MolecularWeight: 393.5218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)S(=O)(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)S(=O)(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N2O2S/c26-28(27,22-12-11-20-10-9-19-7-4-8-21(22)23(19)20)25-15-13-24(14-16-25)17-18-5-2-1-3-6-18/h1-8,11-12H,9-10,13-17H2/p+1