[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]-[(2S)-2-oxidanylbutyl]azanium

Systemtic Name: [1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]-[(2S)-2-oxidanylbutyl]azanium Openeye Name: [1-(4,6-dimethylquinazolin-2-yl)-4-piperidyl]-[(2S)-2-hydroxybutyl]ammonium CAS Name: [1-(4,6-dimethyl-2-quinazolinyl)-4-piperidinyl]-[(2S)-2-hydroxybutyl]ammonium IUPAC Name: [1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]-[(2S)-2-hydroxybutyl]azanium Traditional Name: [1-(4,6-dimethylquinazolin-2-yl)-4-piperidyl]-[(2S)-2-hydroxybutyl]ammonium Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[NH2+]C1CCN(CC1)C2=NC3=C(C=C(C=C3)C)C(=N2)C)O

Isomeric SMILES

CC[C@@H](C[NH2+]C1CCN(CC1)C2=NC3=C(C=C(C=C3)C)C(=N2)C)O

InChI

InChI=1S/C19H28N4O/c1-4-16(24)12-20-15-7-9-23(10-8-15)19-21-14(3)17-11-13(2)5-6-18(17)22-19/h5-6,11,15-16,20,24H,4,7-10,12H2,1-3H3/p+1/t16-/m0/s1