1H-indol-3-ylmethyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium

Systemtic Name: 1H-indol-3-ylmethyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Openeye Name: 1H-indol-3-ylmethyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: 1H-indol-3-ylmethyl-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium IUPAC Name: 1H-indol-3-ylmethyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Traditional Name: 1H-indol-3-ylmethyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C22H22N5+ MolecularWeight: 356.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CN=C(N=C2C1)C3=CN=CC=C3)[NH2+]CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1C[C@@H](C2=CN=C(N=C2C1)C3=CN=CC=C3)[NH2+]CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C22H21N5/c1-2-7-19-17(6-1)16(12-24-19)13-25-20-8-3-9-21-18(20)14-26-22(27-21)15-5-4-10-23-11-15/h1-2,4-7,10-12,14,20,24-25H,3,8-9,13H2/p+1/t20-/m0/s1