2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline

Systemtic Name: 2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline Openeye Name: 2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline CAS Name: 2-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethylquinazoline IUPAC Name: 2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethylquinazoline Traditional Name: 2-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline Formula: C23H33N6+ MolecularWeight: 393.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)C)C)C

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)C)C)C

InChI

InChI=1S/C23H32N6/c1-6-29-15-20(18(4)26-29)14-27-8-7-9-28(11-10-27)23-24-19(5)21-12-16(2)17(3)13-22(21)25-23/h12-13,15H,6-11,14H2,1-5H3/p+1