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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c27-23(20-8-10-22(11-9-20)30(28,29)26-14-4-5-15-26)24-21-12-16-25(17-13-21)18-19-6-2-1-3-7-19/h1-3,6-11,21H,4-5,12-18H2,(H,24,27)/p+1