2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]morpholin-4-ium-2-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]morpholin-4-ium-2-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]morpholin-4-ium-2-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-4-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-2-morpholin-4-iumyl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]morpholin-4-ium-2-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S)-4-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)morpholin-4-ium-2-yl]ethyl-dimethyl-ammonium Formula: C20H32N4O+2 MolecularWeight: 344.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2C=CC=N2)C[NH+]3CCOC(C3)CC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2C=CC=N2)C[NH+]3CCO[C@H](C3)CC[NH+](C)C)C

InChI

InChI=1S/C20H30N4O/c1-16-12-17(2)19(20(13-16)24-8-5-7-21-24)15-23-10-11-25-18(14-23)6-9-22(3)4/h5,7-8,12-13,18H,6,9-11,14-15H2,1-4H3/p+2/t18-/m0/s1