(6-methyl-1,3-benzodioxol-5-yl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium

Systemtic Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Openeye Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium IUPAC Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Traditional Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C[NH2+]C3CCCC4=NC(=NC=C34)C5=CN=CC=C5)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1C[NH2+][C@H]3CCCC4=NC(=NC=C34)C5=CN=CC=C5)OCO2

InChI

InChI=1S/C22H22N4O2/c1-14-8-20-21(28-13-27-20)9-16(14)11-24-18-5-2-6-19-17(18)12-25-22(26-19)15-4-3-7-23-10-15/h3-4,7-10,12,18,24H,2,5-6,11,13H2,1H3/p+1/t18-/m0/s1