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

Systemtic Name: (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methyl-5-morpholinosulfonyl-phenyl)methanone CAS Name: [2-methyl-5-(4-morpholinylsulfonyl)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methyl-5-morpholinosulfonyl-phenyl)methanone Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O4S/c1-19-7-8-21(31(28,29)26-13-15-30-16-14-26)17-22(19)23(27)25-11-9-24(10-12-25)18-20-5-3-2-4-6-20/h2-8,17H,9-16,18H2,1H3/p+1