[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxo-propyl]ammonium CAS Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]ammonium IUPAC Name: [3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]azanium Traditional Name: [3-(homoveratrylamino)-3-keto-propyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CC[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CC[NH3+])OC

InChI

InChI=1S/C13H20N2O3/c1-17-11-4-3-10(9-12(11)18-2)6-8-15-13(16)5-7-14/h3-4,9H,5-8,14H2,1-2H3,(H,15,16)/p+1