[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O2/c1-5-11-26-16-21(18(4)24-26)15-25-12-7-9-20(14-25)23(27)19-8-6-10-22(13-19)28-17(2)3/h6,8,10,13,16-17,20H,5,7,9,11-12,14-15H2,1-4H3/p+1/t20-/m0/s1