[(E)-3-(7-azanyl-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)prop-2-enyl]-[4-(dimethylamino)butyl]-dimethyl-azanium

Systemtic Name: [(E)-3-(7-azanyl-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)prop-2-enyl]-[4-(dimethylamino)butyl]-dimethyl-azanium Openeye Name: [(E)-3-(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)allyl]-[4-(dimethylamino)butyl]-dimethyl-ammonium CAS Name: [(E)-3-(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)prop-2-enyl]-[4-(dimethylamino)butyl]-dimethylammonium IUPAC Name: [(E)-3-(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)prop-2-enyl]-[4-(dimethylamino)butyl]-dimethylazanium Traditional Name: [(E)-3-(7-amino-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)allyl]-[4-(dimethylamino)butyl]-dimethyl-ammonium Formula: C18H31N4O3S+ MolecularWeight: 383.52874

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC[N+](C)(C)CC=CC1=C(N2C(C(C2=O)N)SC1)C(=O)O

Isomeric SMILES

CN(C)CCCC[N+](C)(C)C/C=C/C1=C(N2C(C(C2=O)N)SC1)C(=O)O

InChI

InChI=1S/C18H30N4O3S/c1-20(2)9-5-6-10-22(3,4)11-7-8-13-12-26-17-14(19)16(23)21(17)15(13)18(24)25/h7-8,14,17H,5-6,9-12,19H2,1-4H3/p+1/b8-7+