(3,4-dimethoxyphenyl)-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3/c1-5-10-25-15-19(16(2)23-25)14-24-11-6-7-18(13-24)22(26)17-8-9-20(27-3)21(12-17)28-4/h8-9,12,15,18H,5-7,10-11,13-14H2,1-4H3/p+1/t18-/m0/s1