4,6,7-trimethyl-2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline

Systemtic Name: 4,6,7-trimethyl-2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Openeye Name: 4,6,7-trimethyl-2-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline CAS Name: 4,6,7-trimethyl-2-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline IUPAC Name: 4,6,7-trimethyl-2-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Traditional Name: 4,6,7-trimethyl-2-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Formula: C23H30N5+ MolecularWeight: 376.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)C)C)C

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)C)C)C

InChI

InChI=1S/C23H29N5/c1-16-13-21-19(4)25-23(26-22(21)14-17(16)2)28-10-6-9-27(11-12-28)15-20-8-5-7-18(3)24-20/h5,7-8,13-14H,6,9-12,15H2,1-4H3/p+1