ethyl 2-(3-azanyl-2-methyl-perimidin-1-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(3-azanyl-2-methyl-perimidin-1-ium-1-yl)ethanoate Openeye Name: ethyl 2-(3-amino-2-methyl-perimidin-1-ium-1-yl)acetate CAS Name: 2-(3-amino-2-methyl-1-perimidin-1-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-amino-2-methylperimidin-1-ium-1-yl)acetate Traditional Name: 2-(3-amino-2-methyl-perimidin-1-ium-1-yl)acetic acid ethyl ester Formula: C16H18N3O2+ MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(C2=CC=CC3=C2C1=CC=C3)N)C

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(C2=CC=CC3=C2C1=CC=C3)N)C

InChI

InChI=1S/C16H18N3O2/c1-3-21-15(20)10-18-11(2)19(17)14-9-5-7-12-6-4-8-13(18)16(12)14/h4-9H,3,10,17H2,1-2H3/q+1