[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H26N4O4S/c1-16-14-18(21-28-16)15-22-10-12-23(13-11-22)20(25)17-4-6-19(7-5-17)29(26,27)24-8-2-3-9-24/h4-7,14H,2-3,8-13,15H2,1H3/p+1