3-[4-(aminomethyl)phenyl]-1-(2-methylpropyl)-3H-pyridazin-1-ium-6-one hydrochloride

Systemtic Name: 3-[4-(aminomethyl)phenyl]-1-(2-methylpropyl)-3H-pyridazin-1-ium-6-one hydrochloride Openeye Name: 3-[4-(aminomethyl)phenyl]-1-isobutyl-3H-pyridazin-1-ium-6-one hydrochloride CAS Name: 3-[4-(aminomethyl)phenyl]-1-(2-methylpropyl)-3H-pyridazin-1-ium-6-one hydrochloride IUPAC Name: 3-[4-(aminomethyl)phenyl]-1-(2-methylpropyl)-3H-pyridazin-1-ium-6-one hydrochloride Traditional Name: 3-[4-(aminomethyl)phenyl]-1-isobutyl-3H-pyridazin-1-ium-6-one hydrochloride Formula: C15H21ClN3O+ MolecularWeight: 294.79974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1=NC(C=CC1=O)C2=CC=C(C=C2)CN.Cl

Isomeric SMILES

CC(C)C[N+]1=NC(C=CC1=O)C2=CC=C(C=C2)CN.Cl

InChI

InChI=1S/C15H20N3O.ClH/c1-11(2)10-18-15(19)8-7-14(17-18)13-5-3-12(9-16)4-6-13;/h3-8,11,14H,9-10,16H2,1-2H3;1H/q+1;