N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrazole-4-carboxamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrazole-4-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-27(24-13-8-15-28(20-24)16-14-21-9-4-2-5-10-21)25(30)23-17-26-29(19-23)18-22-11-6-3-7-12-22/h2-7,9-12,17,19,24H,8,13-16,18,20H2,1H3/p+1/t24-/m0/s1