4-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide

Systemtic Name: 4-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1-benzylpiperidin-1-ium-4-yl)-4-oxo-butanamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1-benzylpiperidin-1-ium-4-yl)-4-oxobutanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(4-besylpiperazino)-4-keto-butyramide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O4S/c31-25(27-23-13-15-28(16-14-23)21-22-7-3-1-4-8-22)11-12-26(32)29-17-19-30(20-18-29)35(33,34)24-9-5-2-6-10-24/h1-10,23H,11-21H2,(H,27,31)/p+1