(3S)-N,N-diethyl-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[[5-(6-methoxy-2-naphthalenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-[[5-(6-methoxy-2-naphthyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=C(NN=C2)C3=CC4=C(C=C3)C=C(C=C4)OC

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=C(NN=C2)C3=CC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C25H32N4O2/c1-4-29(5-2)25(30)21-7-6-12-28(16-21)17-22-15-26-27-24(22)20-9-8-19-14-23(31-3)11-10-18(19)13-20/h8-11,13-15,21H,4-7,12,16-17H2,1-3H3,(H,26,27)/p+1/t21-/m0/s1