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

Systemtic Name: (2-chlorophenyl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Openeye Name: (2-chlorophenyl)methyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: (2-chlorophenyl)methyl-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium IUPAC Name: (2-chlorophenyl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Traditional Name: (2-chlorobenzyl)-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C20H20ClN4+ MolecularWeight: 351.8526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CN=C(N=C2C1)C3=CN=CC=C3)[NH2+]CC4=CC=CC=C4Cl

Isomeric SMILES

C1C[C@@H](C2=CN=C(N=C2C1)C3=CN=CC=C3)[NH2+]CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H19ClN4/c21-17-7-2-1-5-14(17)12-23-18-8-3-9-19-16(18)13-24-20(25-19)15-6-4-10-22-11-15/h1-2,4-7,10-11,13,18,23H,3,8-9,12H2/p+1/t18-/m0/s1