[4-[[4-(2-chloranylethanoylamino)-3-methoxy-phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[4-(2-chloranylethanoylamino)-3-methoxy-phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[4-[(2-chloroacetyl)amino]-3-methoxy-anilino]-4-oxo-butyl]ammonium CAS Name: [4-[4-[(2-chloro-1-oxoethyl)amino]-3-methoxyanilino]-4-oxobutyl]ammonium IUPAC Name: [4-[4-[(2-chloroacetyl)amino]-3-methoxyanilino]-4-oxobutyl]azanium Traditional Name: [4-[4-[(2-chloroacetyl)amino]-3-methoxy-anilino]-4-keto-butyl]ammonium Formula: C13H19ClN3O3+ MolecularWeight: 300.76126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)CCC[NH3+])NC(=O)CCl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)CCC[NH3+])NC(=O)CCl

InChI

InChI=1S/C13H18ClN3O3/c1-20-11-7-9(16-12(18)3-2-6-15)4-5-10(11)17-13(19)8-14/h4-5,7H,2-3,6,8,15H2,1H3,(H,16,18)(H,17,19)/p+1