2-chloranyl-N-(3-piperidin-1-ium-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(3-piperidin-1-ium-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(3-piperidin-1-ium-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[3-(1-piperidin-1-iumyl)propyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(3-piperidin-1-ium-1-ylpropyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(3-piperidin-1-ium-1-ylpropyl)-5-pyrrolidinosulfonyl-benzamide Formula: C19H29ClN3O3S+ MolecularWeight: 414.96986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C19H28ClN3O3S/c20-18-8-7-16(27(25,26)23-13-4-5-14-23)15-17(18)19(24)21-9-6-12-22-10-2-1-3-11-22/h7-8,15H,1-6,9-14H2,(H,21,24)/p+1