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

Systemtic Name: N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Openeye Name: N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide CAS Name: N-[2-[1-[(4-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxybenzamide IUPAC Name: N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxybenzamide Traditional Name: N-[2-[1-(4-ethoxybenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-benzamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C25H30N4O3/c1-3-32-21-10-8-19(9-11-21)18-28-16-13-20(14-17-28)29-24(12-15-26-29)27-25(30)22-6-4-5-7-23(22)31-2/h4-12,15,20H,3,13-14,16-18H2,1-2H3,(H,27,30)/p+1