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

Systemtic Name: 3-methoxy-N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 3-methoxy-N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide CAS Name: 3-methoxy-N-[(2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 3-methoxy-N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]benzamide Traditional Name: 3-methoxy-N-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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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)OC)C4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3/c1-32-23-10-8-22(9-11-23)29-13-15-30(16-14-29)25(21-6-4-12-27-18-21)19-28-26(31)20-5-3-7-24(17-20)33-2/h3-12,17-18,25H,13-16,19H2,1-2H3,(H,28,31)/p+1/t25-/m1/s1