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

Systemtic Name: N-[2-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-(3-ethoxy-4-methoxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C)OC

InChI

InChI=1S/C20H28N4O3/c1-4-27-19-13-16(5-6-18(19)26-3)14-23-11-8-17(9-12-23)24-20(7-10-21-24)22-15(2)25/h5-7,10,13,17H,4,8-9,11-12,14H2,1-3H3,(H,22,25)/p+1