2-chloranylnaphthalene; 4-(4-sulfonylpiperazin-4-ium-1-yl)benzenecarboximidamide

Systemtic Name: 2-chloranylnaphthalene; 4-(4-sulfonylpiperazin-4-ium-1-yl)benzenecarboximidamide Openeye Name: 2-chloronaphthalene; 4-(4-sulfonylpiperazin-4-ium-1-yl)benzamidine CAS Name: 2-chloronaphthalene; 4-(4-sulfonyl-1-piperazin-4-iumyl)benzenecarboximidamide IUPAC Name: 2-chloronaphthalene; 4-(4-sulfonylpiperazin-4-ium-1-yl)benzenecarboximidamide Traditional Name: 2-chloronaphthalene; 4-(4-sulfonylpiperazin-4-ium-1-yl)benzamidine Formula: C21H22ClN4O2S+ MolecularWeight: 429.94298

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=S(=O)=O)CCN1C2=CC=C(C=C2)C(=N)N.C1=CC=C2C=C(C=CC2=C1)Cl

Isomeric SMILES

C1C[N+](=S(=O)=O)CCN1C2=CC=C(C=C2)C(=N)N.C1=CC=C2C=C(C=CC2=C1)Cl

InChI

InChI=1S/C11H15N4O2S.C10H7Cl/c12-11(13)9-1-3-10(4-2-9)14-5-7-15(8-6-14)18(16)17;11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-8H2,(H3,12,13);1-7H/q+1;