(2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-morpholino-5-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-morpholino-5-piperidinosulfonyl-phenyl)methanone Formula: C27H37N4O4S+ MolecularWeight: 513.67208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H36N4O4S/c32-27(30-15-13-28(14-16-30)22-23-7-3-1-4-8-23)25-21-24(36(33,34)31-11-5-2-6-12-31)9-10-26(25)29-17-19-35-20-18-29/h1,3-4,7-10,21H,2,5-6,11-20,22H2/p+1