N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C25H30N4O2+2 MolecularWeight: 418.5313

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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)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H28N4O2/c1-31-22-12-10-21(11-13-22)25(20-7-3-2-4-8-20)27-24(30)19-28-15-17-29(18-16-28)23-9-5-6-14-26-23/h2-14,25H,15-19H2,1H3,(H,27,30)/p+2/t25-/m0/s1