N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-piperidinosulfonylphenyl)propionamide Formula: C26H36N3O3S+ MolecularWeight: 470.64734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O3S/c30-26(27-24-15-19-28(20-16-24)21-23-7-3-1-4-8-23)14-11-22-9-12-25(13-10-22)33(31,32)29-17-5-2-6-18-29/h1,3-4,7-10,12-13,24H,2,5-6,11,14-21H2,(H,27,30)/p+1