4-chloranyl-2-[3-(dimethylazaniumyl)propylamino]-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 4-chloranyl-2-[3-(dimethylazaniumyl)propylamino]-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 4-chloro-2-[3-(dimethylammonio)propylamino]-5-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-2-[3-(dimethylammonio)propylamino]-5-(1-piperidinylsulfonyl)benzoate IUPAC Name: 4-chloro-2-[3-(dimethylazaniumyl)propylamino]-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-2-[3-(dimethylammonio)propylamino]-5-piperidinosulfonyl-benzoate Formula: C17H26ClN3O4S MolecularWeight: 403.92404

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

C[NH+](C)CCCNC1=CC(=C(C=C1C(=O)[O-])S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C17H26ClN3O4S/c1-20(2)8-6-7-19-15-12-14(18)16(11-13(15)17(22)23)26(24,25)21-9-4-3-5-10-21/h11-12,19H,3-10H2,1-2H3,(H,22,23)