N-[2-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide

Systemtic Name: N-[2-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[(8-methoxy-2H-1-benzopyran-3-yl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC4=C(C(=CC=C4)OC)OC3

Isomeric SMILES

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC4=C(C(=CC=C4)OC)OC3

InChI

InChI=1S/C21H26N4O3/c1-15(26)23-20-6-9-22-25(20)18-7-10-24(11-8-18)13-16-12-17-4-3-5-19(27-2)21(17)28-14-16/h3-6,9,12,18H,7-8,10-11,13-14H2,1-2H3,(H,23,26)/p+1