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

Systemtic Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Openeye Name: [4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-[1-(2-thienylsulfonyl)-4-piperidyl]methanone CAS Name: [4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methanone IUPAC Name: [4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Traditional Name: [4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-[1-(2-thienylsulfonyl)-4-piperidyl]methanone Formula: C19H27N4O4S2+ MolecularWeight: 439.57208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H26N4O4S2/c1-15-13-17(20-27-15)14-21-8-10-22(11-9-21)19(24)16-4-6-23(7-5-16)29(25,26)18-3-2-12-28-18/h2-3,12-13,16H,4-11,14H2,1H3/p+1