2-chloranyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-chloro-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-chloro-5-piperidinosulfonyl-benzamide Formula: C24H31ClN3O3S+ MolecularWeight: 477.03924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30ClN3O3S/c25-23-10-9-21(32(30,31)28-13-5-2-6-14-28)17-22(23)24(29)26-20-11-15-27(16-12-20)18-19-7-3-1-4-8-19/h1,3-4,7-10,17,20H,2,5-6,11-16,18H2,(H,26,29)/p+1