(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1-ethyl-4-pyrazolyl)methyl]-N-[4-(3-methoxyphenyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H30N4O2/c1-3-29-17-19(15-26-29)16-28-13-5-7-22(18-28)25(30)27-23-11-9-20(10-12-23)21-6-4-8-24(14-21)31-2/h4,6,8-12,14-15,17,22H,3,5,7,13,16,18H2,1-2H3,(H,27,30)/p+1/t22-/m0/s1