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

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

Isomeric SMILES

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

InChI

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