[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methylamino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[(3,4-dimethoxyphenyl)methylamino]-4-oxo-butyl]ammonium CAS Name: [4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]ammonium IUPAC Name: [4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]azanium Traditional Name: [4-keto-4-(veratrylamino)butyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC[NH3+])OC

InChI

InChI=1S/C13H20N2O3/c1-17-11-6-5-10(8-12(11)18-2)9-15-13(16)4-3-7-14/h5-6,8H,3-4,7,9,14H2,1-2H3,(H,15,16)/p+1