3,5-dimethyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-1,2-oxazole-4-sulfonamide

Systemtic Name: 3,5-dimethyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-1,2-oxazole-4-sulfonamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-3,5-dimethyl-isoxazole-4-sulfonamide CAS Name: 3,5-dimethyl-N-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-4-isoxazolesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O4S/c1-15-19(16(2)27-21-15)28(25,26)20-9-8-18(24)23-12-10-22(11-13-23)14-17-6-4-3-5-7-17/h3-7,20H,8-14H2,1-2H3/p+1