(2-methoxyphenyl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium

Systemtic Name: (2-methoxyphenyl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Openeye Name: (2-methoxyphenyl)methyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: (2-methoxyphenyl)methyl-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium IUPAC Name: (2-methoxyphenyl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Traditional Name: o-anisyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH2+]C2CCCC3=NC(=NC=C23)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C[NH2+][C@H]2CCCC3=NC(=NC=C23)C4=CN=CC=C4

InChI

InChI=1S/C21H22N4O/c1-26-20-10-3-2-6-15(20)13-23-18-8-4-9-19-17(18)14-24-21(25-19)16-7-5-11-22-12-16/h2-3,5-7,10-12,14,18,23H,4,8-9,13H2,1H3/p+1/t18-/m0/s1