N-[(R)-(4-methoxyphenyl)-phenyl-methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(R)-(4-methoxyphenyl)-phenyl-methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(R)-(4-methoxyphenyl)-phenyl-methyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(R)-(4-methoxyphenyl)-phenyl-methyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C26H30N4O2/c1-32-24-12-10-22(11-13-24)26(21-7-3-2-4-8-21)28-25(31)20-30-17-15-29(16-18-30)19-23-9-5-6-14-27-23/h2-14,26H,15-20H2,1H3,(H,28,31)/p+1/t26-/m1/s1