[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]azanium

Systemtic Name: [(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]azanium Openeye Name: [(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]ammonium CAS Name: [(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]ammonium IUPAC Name: [(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]azanium Traditional Name: [(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-[(5-carbethoxy-1H-pyrazol-4-yl)methyl]ammonium Formula: C21H32N5O2+ MolecularWeight: 386.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH2+]C2CC(CC3=NC(=NC=C23)C(C)(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH2+][C@H]2CC(CC3=NC(=NC=C23)C(C)(C)C)(C)C

InChI

InChI=1S/C21H31N5O2/c1-7-28-18(27)17-13(11-24-26-17)10-22-15-8-21(5,6)9-16-14(15)12-23-19(25-16)20(2,3)4/h11-12,15,22H,7-10H2,1-6H3,(H,24,26)/p+1/t15-/m0/s1