[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: [(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: [(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: [(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C22H32N4+2 MolecularWeight: 352.51628

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]C2CCCC3=NC(=NC=C23)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+][C@H]2CCCC3=NC(=NC=C23)C4=CC=CC=C4

InChI

InChI=1S/C22H30N4/c1-2-13-26-14-11-18(12-15-26)24-20-9-6-10-21-19(20)16-23-22(25-21)17-7-4-3-5-8-17/h3-5,7-8,16,18,20,24H,2,6,9-15H2,1H3/p+2/t20-/m0/s1