N,N-dimethylnaphthalen-1-amine; 4-[2-oxidanylidene-2-(4-sulfonylpiperazin-4-ium-1-yl)ethyl]benzenecarboximidamide

Systemtic Name: N,N-dimethylnaphthalen-1-amine; 4-[2-oxidanylidene-2-(4-sulfonylpiperazin-4-ium-1-yl)ethyl]benzenecarboximidamide Openeye Name: N,N-dimethylnaphthalen-1-amine; 4-[2-oxo-2-(4-sulfonylpiperazin-4-ium-1-yl)ethyl]benzamidine CAS Name: N,N-dimethyl-1-naphthalenamine; 4-[2-oxo-2-(4-sulfonyl-1-piperazin-4-iumyl)ethyl]benzenecarboximidamide IUPAC Name: N,N-dimethylnaphthalen-1-amine; 4-[2-oxo-2-(4-sulfonylpiperazin-4-ium-1-yl)ethyl]benzenecarboximidamide Traditional Name: dimethyl(1-naphthyl)amine; 4-[2-keto-2-(4-sulfonylpiperazin-4-ium-1-yl)ethyl]benzamidine Formula: C25H30N5O3S+ MolecularWeight: 480.6024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=CC=CC=C21.C1C[N+](=S(=O)=O)CCN1C(=O)CC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CN(C)C1=CC=CC2=CC=CC=C21.C1C[N+](=S(=O)=O)CCN1C(=O)CC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C13H17N4O3S.C12H13N/c14-13(15)11-3-1-10(2-4-11)9-12(18)16-5-7-17(8-6-16)21(19)20;1-13(2)12-9-5-7-10-6-3-4-8-11(10)12/h1-4H,5-9H2,(H3,14,15);3-9H,1-2H3/q+1;