3,4,5-trimethoxy-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]benzamide Formula: C27H33N4O4+ MolecularWeight: 477.57532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC[C@H](C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O4/c1-33-24-16-21(17-25(34-2)26(24)35-3)27(32)29-19-23(20-8-7-11-28-18-20)31-14-12-30(13-15-31)22-9-5-4-6-10-22/h4-11,16-18,23H,12-15,19H2,1-3H3,(H,29,32)/p+1/t23-/m1/s1