6-ethoxy-2-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4-methyl-quinazoline

Systemtic Name: 6-ethoxy-2-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4-methyl-quinazoline Openeye Name: 6-ethoxy-2-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4-methyl-quinazoline CAS Name: 6-ethoxy-2-[4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-1,4-diazepan-4-ium-1-yl]-4-methylquinazoline IUPAC Name: 6-ethoxy-2-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4-methylquinazoline Traditional Name: 6-ethoxy-2-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-4-methyl-quinazoline Formula: C24H35N6O+ MolecularWeight: 423.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCCN(CC2)C3=NC4=C(C=C(C=C4)OCC)C(=N3)C)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCCN(CC2)C3=NC4=C(C=C(C=C4)OCC)C(=N3)C)C

InChI

InChI=1S/C24H34N6O/c1-6-30-19(5)22(18(4)27-30)16-28-11-8-12-29(14-13-28)24-25-17(3)21-15-20(31-7-2)9-10-23(21)26-24/h9-10,15H,6-8,11-14,16H2,1-5H3/p+1