N-[[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide

Systemtic Name: N-[[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[(3R)-1-[[4-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[(3R)-1-(4-pyrazol-1-ylbenzyl)piperidin-1-ium-3-yl]methyl]-1-naphthamide Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)N3C=CC=N3)CNC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)N3C=CC=N3)CNC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H28N4O/c32-27(26-10-3-8-23-7-1-2-9-25(23)26)28-18-22-6-4-16-30(20-22)19-21-11-13-24(14-12-21)31-17-5-15-29-31/h1-3,5,7-15,17,22H,4,6,16,18-20H2,(H,28,32)/p+1/t22-/m1/s1