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

Systemtic Name: 3-methoxy-N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 3-methoxy-N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-(3-pyridyl)ethyl]benzamide CAS Name: 3-methoxy-N-[(2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 3-methoxy-N-[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]benzamide Traditional Name: 3-methoxy-N-[(2S)-2-[4-(2-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=CC(=C1)C(=O)NCC(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC[C@H](C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H30N4O3/c1-32-22-9-5-7-20(17-22)26(31)28-19-24(21-8-6-12-27-18-21)30-15-13-29(14-16-30)23-10-3-4-11-25(23)33-2/h3-12,17-18,24H,13-16,19H2,1-2H3,(H,28,31)/p+1/t24-/m1/s1