methyl-(3-methylbutyl)-[1-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]azanium

Systemtic Name: methyl-(3-methylbutyl)-[1-[(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]azanium Openeye Name: isopentyl-methyl-[1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-4-piperidyl]ammonium CAS Name: methyl-(3-methylbutyl)-[1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]-4-piperidinyl]ammonium IUPAC Name: methyl-(3-methylbutyl)-[1-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]azanium Traditional Name: isoamyl-[1-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyl]-4-piperidyl]-methyl-ammonium Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+](C)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3

Isomeric SMILES

CC(C)CC[NH+](C)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3

InChI

InChI=1S/C18H27N3O4S/c1-13(2)6-9-20(3)14-7-10-21(11-8-14)26(23,24)15-4-5-16-17(12-15)25-18(22)19-16/h4-5,12-14H,6-11H2,1-3H3,(H,19,22)/p+1