N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]benzamide

Systemtic Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]benzamide Openeye Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide CAS Name: N-[(2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]benzamide Traditional Name: N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C(CNC(=O)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H](CNC(=O)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-31-23-11-9-22(10-12-23)28-14-16-29(17-15-28)24(21-8-5-13-26-18-21)19-27-25(30)20-6-3-2-4-7-20/h2-13,18,24H,14-17,19H2,1H3,(H,27,30)/p+1/t24-/m1/s1