N-(3-chloranyl-2-methyl-phenyl)-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]amino]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amino]acetamide Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21ClN4O3S/c1-13-15(19)5-4-6-16(13)22-18(24)12-21-17-8-7-14(11-20-17)27(25,26)23-9-2-3-10-23/h4-8,11H,2-3,9-10,12H2,1H3,(H,20,21)(H,22,24)/p+1