pyridin-4-ylmethyl-[1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-yl]azanium

Systemtic Name: pyridin-4-ylmethyl-[1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-yl]azanium Openeye Name: 4-pyridylmethyl-[1-(4,6,7-trimethylquinazolin-2-yl)-4-piperidyl]ammonium CAS Name: pyridin-4-ylmethyl-[1-(4,6,7-trimethyl-2-quinazolinyl)-4-piperidinyl]ammonium IUPAC Name: pyridin-4-ylmethyl-[1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-yl]azanium Traditional Name: 4-pyridylmethyl-[1-(4,6,7-trimethylquinazolin-2-yl)-4-piperidyl]ammonium Formula: C22H28N5+ MolecularWeight: 362.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)[NH2+]CC4=CC=NC=C4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)[NH2+]CC4=CC=NC=C4)C)C

InChI

InChI=1S/C22H27N5/c1-15-12-20-17(3)25-22(26-21(20)13-16(15)2)27-10-6-19(7-11-27)24-14-18-4-8-23-9-5-18/h4-5,8-9,12-13,19,24H,6-7,10-11,14H2,1-3H3/p+1