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

Systemtic Name: 2-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-6-ethoxy-4-methyl-quinazoline Openeye Name: 2-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-6-ethoxy-4-methyl-quinazoline CAS Name: 2-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepan-4-ium-1-yl]-6-ethoxy-4-methylquinazoline IUPAC Name: 2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-6-ethoxy-4-methylquinazoline Traditional Name: 2-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-4-ium-1-yl]-6-ethoxy-4-methyl-quinazoline Formula: C22H30ClN6O+ MolecularWeight: 429.9662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=C(N(N=C4C)C)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=C(N(N=C4C)C)Cl

InChI

InChI=1S/C22H29ClN6O/c1-5-30-17-7-8-20-18(13-17)15(2)24-22(25-20)29-10-6-9-28(11-12-29)14-19-16(3)26-27(4)21(19)23/h7-8,13H,5-6,9-12,14H2,1-4H3/p+1