(5-bromanylthiophen-2-yl)methyl-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]ammonium Formula: C18H22BrN2OS+ MolecularWeight: 394.34908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

InChI

InChI=1S/C18H21BrN2OS/c1-3-11-21(12-16-9-10-17(19)23-16)13-18(22)20-14(2)15-7-5-4-6-8-15/h3-10,14H,1,11-13H2,2H3,(H,20,22)/p+1/t14-/m1/s1