(3S)-1-phenethyl-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-phenethyl-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-phenethyl-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-phenethyl-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-phenethyl-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-phenethyl-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

InChI

InChI=1S/C23H26N4O/c28-23(25-21-10-8-19(9-11-21)22-12-14-24-26-22)20-7-4-15-27(17-20)16-13-18-5-2-1-3-6-18/h1-3,5-6,8-12,14,20H,4,7,13,15-17H2,(H,24,26)(H,25,28)/p+1/t20-/m0/s1