N-[2-[1-[(1-ethylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[1-[(1-ethylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-[(1-ethylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-[(1-ethyl-3-indolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-[(1-ethylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-[(1-ethylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C27H32N5O+ MolecularWeight: 442.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O/c1-2-31-20-22(24-10-6-7-11-25(24)31)19-30-16-13-23(14-17-30)32-26(12-15-28-32)29-27(33)18-21-8-4-3-5-9-21/h3-12,15,20,23H,2,13-14,16-19H2,1H3,(H,29,33)/p+1