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

Systemtic Name: (2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methoxy-5-morpholinosulfonyl-phenyl)methanone CAS Name: [2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methoxy-5-morpholinosulfonyl-phenyl)methanone Formula: C23H30N3O5S+ MolecularWeight: 460.5664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O5S/c1-30-22-8-7-20(32(28,29)26-13-15-31-16-14-26)17-21(22)23(27)25-11-9-24(10-12-25)18-19-5-3-2-4-6-19/h2-8,17H,9-16,18H2,1H3/p+1