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

Systemtic Name: 3-chloranyl-N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 3-chloro-N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide CAS Name: 3-chloro-N-[(2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 3-chloro-N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]benzamide Traditional Name: 3-chloro-N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide Formula: C25H28ClN4O2+ MolecularWeight: 451.96842

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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)Cl)C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O2/c1-32-23-9-7-22(8-10-23)29-12-14-30(15-13-29)24(20-5-3-11-27-17-20)18-28-25(31)19-4-2-6-21(26)16-19/h2-11,16-17,24H,12-15,18H2,1H3,(H,28,31)/p+1/t24-/m1/s1