(3R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCC[C@H](C2)C(=O)NC3=CC=CC=C3C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H34N4O2/c1-4-15-31-20(2)23(17-28-31)19-30-16-7-8-22(18-30)27(32)29-26-10-6-5-9-25(26)21-11-13-24(33-3)14-12-21/h5-6,9-14,17,22H,4,7-8,15-16,18-19H2,1-3H3,(H,29,32)/p+1/t22-/m1/s1