1-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-pyridazine-3-carboxamide CAS Name: 1-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxo-3-pyridazinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxopyridazine-3-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)-4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyridazine-3-carboxamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4)C

InChI

InChI=1S/C26H30N4O3/c1-18-6-9-21(16-19(18)2)30-15-12-24(31)25(28-30)26(32)27-17-23(29-13-4-5-14-29)20-7-10-22(33-3)11-8-20/h6-12,15-16,23H,4-5,13-14,17H2,1-3H3,(H,27,32)/p+1/t23-/m0/s1