[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-(4-pyridylmethyl)ammonium CAS Name: [(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-(4-pyridylmethyl)ammonium Formula: C20H21N4+ MolecularWeight: 317.40754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CN=C(N=C2C1)C3=CC=CC=C3)[NH2+]CC4=CC=NC=C4

Isomeric SMILES

C1C[C@@H](C2=CN=C(N=C2C1)C3=CC=CC=C3)[NH2+]CC4=CC=NC=C4

InChI

InChI=1S/C20H20N4/c1-2-5-16(6-3-1)20-23-14-17-18(7-4-8-19(17)24-20)22-13-15-9-11-21-12-10-15/h1-3,5-6,9-12,14,18,22H,4,7-8,13H2/p+1/t18-/m0/s1