4,6,7-trimethyl-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]quinazoline

Systemtic Name: 4,6,7-trimethyl-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]quinazoline Openeye Name: 4,6,7-trimethyl-2-[4-(3-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]quinazoline CAS Name: 4,6,7-trimethyl-2-[4-(3-pyridinylmethyl)-1,4-diazepan-4-ium-1-yl]quinazoline IUPAC Name: 4,6,7-trimethyl-2-[4-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]quinazoline Traditional Name: 4,6,7-trimethyl-2-[4-(3-pyridylmethyl)-1,4-diazepan-4-ium-1-yl]quinazoline Formula: C22H28N5+ MolecularWeight: 362.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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