(4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-methoxy-3,5-dimethylphenyl)-[(3S)-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-methoxy-3,5-dimethylphenyl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C23H34N3O2+ MolecularWeight: 384.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=CC(=C(C(=C3)C)OC)C)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=C(C(=C3)C)OC)C)C

InChI

InChI=1S/C23H33N3O2/c1-6-9-26-18(4)21(13-24-26)15-25-10-7-8-19(14-25)22(27)20-11-16(2)23(28-5)17(3)12-20/h11-13,19H,6-10,14-15H2,1-5H3/p+1/t19-/m0/s1