2-[(1S)-1-methoxyethyl]-3-(methylamino)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 2-[(1S)-1-methoxyethyl]-3-(methylamino)-4aH-quinazolin-3-ium-4-one Openeye Name: 2-[(1S)-1-methoxyethyl]-3-(methylamino)-4aH-quinazolin-3-ium-4-one CAS Name: 2-[(1S)-1-methoxyethyl]-3-(methylamino)-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-[(1S)-1-methoxyethyl]-3-(methylamino)-4aH-quinazolin-3-ium-4-one Traditional Name: 2-[(1S)-1-methoxyethyl]-3-(methylamino)-4aH-quinazolin-3-ium-4-one Formula: C12H16N3O2+ MolecularWeight: 234.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=[N+](C(=O)C2C=CC=CC2=N1)NC)OC

Isomeric SMILES

C[C@@H](C1=[N+](C(=O)C2C=CC=CC2=N1)NC)OC

InChI

InChI=1S/C12H16N3O2/c1-8(17-3)11-14-10-7-5-4-6-9(10)12(16)15(11)13-2/h4-9,13H,1-3H3/q+1/t8-,9?/m0/s1