(3S)-1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-N-(4-methoxyphenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-N-(4-methoxyphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(4-methoxyphenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-N-(4-methoxyphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-(4-methoxyphenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-methoxyphenyl)amine Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)C[NH+]2CCCC(C2)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)C[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H32N4O/c1-15(2)25-17(4)21(16(3)23-25)14-24-12-6-7-19(13-24)22-18-8-10-20(26-5)11-9-18/h8-11,15,19,22H,6-7,12-14H2,1-5H3/p+1/t19-/m0/s1