(5-bromanylthiophen-2-yl)methyl-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-[[(1R)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[[[[(2R)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-keto-2-[[(1R)-1-methylpropyl]carbamoylamino]ethyl]ammonium Formula: C15H23BrN3O2S+ MolecularWeight: 389.33102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+](CC=C)CC1=CC=C(S1)Br

Isomeric SMILES

CC[C@@H](C)NC(=O)NC(=O)C[NH+](CC=C)CC1=CC=C(S1)Br

InChI

InChI=1S/C15H22BrN3O2S/c1-4-8-19(9-12-6-7-13(16)22-12)10-14(20)18-15(21)17-11(3)5-2/h4,6-7,11H,1,5,8-10H2,2-3H3,(H2,17,18,20,21)/p+1/t11-/m1/s1