3-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]propyl-diethylazanium Traditional Name: 3-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]propyl-diethyl-ammonium Formula: C18H29ClN3O3S+ MolecularWeight: 402.95916

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H28ClN3O3S/c1-3-21(4-2)11-7-10-20-18(23)15-8-9-16(19)17(14-15)26(24,25)22-12-5-6-13-22/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,23)/p+1