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

Systemtic Name: 3,5-dimethyl-N-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1,2-oxazole-4-sulfonamide Openeye Name: 3,5-dimethyl-N-[3-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]isoxazole-4-sulfonamide CAS Name: 3,5-dimethyl-N-[3-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]-4-isoxazolesulfonamide IUPAC Name: 3,5-dimethyl-N-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]-1,2-oxazole-4-sulfonamide Traditional Name: N-[3-keto-3-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]propyl]-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C20H29N4O4S+ MolecularWeight: 421.53366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CCNS(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CCNS(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C20H28N4O4S/c1-15-5-4-6-18(13-15)14-23-9-11-24(12-10-23)19(25)7-8-21-29(26,27)20-16(2)22-28-17(20)3/h4-6,13,21H,7-12,14H2,1-3H3/p+1