2-chloranyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-pyrrolidinosulfonyl-benzamide Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C20H30ClN3O3S/c1-16-7-13-23(14-8-16)10-4-9-22-20(25)18-15-17(5-6-19(18)21)28(26,27)24-11-2-3-12-24/h5-6,15-16H,2-4,7-14H2,1H3,(H,22,25)/p+1