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

Systemtic Name: N-[2-[1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-[3-(ethoxymethyl)-4-methoxy-benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C)OC

InChI

InChI=1S/C21H30N4O3/c1-4-28-15-18-13-17(5-6-20(18)27-3)14-24-11-8-19(9-12-24)25-21(7-10-22-25)23-16(2)26/h5-7,10,13,19H,4,8-9,11-12,14-15H2,1-3H3,(H,23,26)/p+1