(4-methylphenyl)sulfonyl-[N-naphthalen-2-yl-C-(pyrrolidin-1-ium-1-ylmethyl)carbonimidoyl]azanide

Systemtic Name: (4-methylphenyl)sulfonyl-[N-naphthalen-2-yl-C-(pyrrolidin-1-ium-1-ylmethyl)carbonimidoyl]azanide Openeye Name: [N-(2-naphthyl)-C-(pyrrolidin-1-ium-1-ylmethyl)carbonimidoyl]-(p-tolylsulfonyl)azanide CAS Name: (4-methylphenyl)sulfonyl-[1-(2-naphthalenylimino)-2-(1-pyrrolidin-1-iumyl)ethyl]azanide IUPAC Name: (4-methylphenyl)sulfonyl-[N-naphthalen-2-yl-C-(pyrrolidin-1-ium-1-ylmethyl)carbonimidoyl]azanide Traditional Name: [N-(2-naphthyl)-C-(pyrrolidin-1-ium-1-ylmethyl)carbonimidoyl]-tosyl-azanide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N-]C(=NC2=CC3=CC=CC=C3C=C2)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-]C(=NC2=CC3=CC=CC=C3C=C2)C[NH+]4CCCC4

InChI

InChI=1S/C23H24N3O2S/c1-18-8-12-22(13-9-18)29(27,28)25-23(17-26-14-4-5-15-26)24-21-11-10-19-6-2-3-7-20(19)16-21/h2-3,6-13,16H,4-5,14-15,17H2,1H3/q-1/p+1