4-chloranyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-chloro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-chloro-3-pyrrolidinosulfonyl-benzamide Formula: C23H29ClN3O3S+ MolecularWeight: 463.01266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H28ClN3O3S/c24-21-9-8-19(16-22(21)31(29,30)27-12-4-5-13-27)23(28)25-20-10-14-26(15-11-20)17-18-6-2-1-3-7-18/h1-3,6-9,16,20H,4-5,10-15,17H2,(H,25,28)/p+1