2-methoxy-N-[3-[4-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)piperidin-1-yl]phenyl]benzamide

Systemtic Name: 2-methoxy-N-[3-[4-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)piperidin-1-yl]phenyl]benzamide Openeye Name: 2-methoxy-N-[3-[4-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)-1-piperidyl]phenyl]benzamide CAS Name: 2-methoxy-N-[3-[4-[4-(2-pyrazinyl)-1-piperazin-1-iumyl]-1-piperidinyl]phenyl]benzamide IUPAC Name: 2-methoxy-N-[3-[4-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)piperidin-1-yl]phenyl]benzamide Traditional Name: 2-methoxy-N-[3-[4-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)piperidino]phenyl]benzamide Formula: C27H33N6O2+ MolecularWeight: 473.58992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCN(CC4)C5=NC=CN=C5

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCN(CC4)C5=NC=CN=C5

InChI

InChI=1S/C27H32N6O2/c1-35-25-8-3-2-7-24(25)27(34)30-21-5-4-6-23(19-21)31-13-9-22(10-14-31)32-15-17-33(18-16-32)26-20-28-11-12-29-26/h2-8,11-12,19-20,22H,9-10,13-18H2,1H3,(H,30,34)/p+1