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

Systemtic Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(m-tolyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1-ethyl-4-pyrazolyl)methyl]-N-[3-(3-methylphenyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methylphenyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(m-tolyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O/c1-3-29-17-20(15-26-29)16-28-12-6-10-23(18-28)25(30)27-24-11-5-9-22(14-24)21-8-4-7-19(2)13-21/h4-5,7-9,11,13-15,17,23H,3,6,10,12,16,18H2,1-2H3,(H,27,30)/p+1/t23-/m0/s1