[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Openeye Name: (1-isopropylpyrazol-4-yl)methyl-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: [(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-[(1-propan-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: (1-isopropylpyrazol-4-yl)methyl-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C21H26N5+ MolecularWeight: 348.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH2+]C2CCCC3=NC(=NC=C23)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH2+][C@H]2CCCC3=NC(=NC=C23)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5/c1-15(2)26-14-16(12-24-26)11-22-19-9-6-10-20-18(19)13-23-21(25-20)17-7-4-3-5-8-17/h3-5,7-8,12-15,19,22H,6,9-11H2,1-2H3/p+1/t19-/m0/s1