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

Systemtic Name: N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-(2-ethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-2-33-25-13-7-6-12-23(25)21-30-19-16-24(17-20-30)31-26(15-18-28-31)29-27(32)14-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-13,15,18,24H,2,8,11,14,16-17,19-21H2,1H3,(H,29,32)/p+1