2-methoxy-N-[3-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)piperidin-1-yl]phenyl]benzamide

Systemtic Name: 2-methoxy-N-[3-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)piperidin-1-yl]phenyl]benzamide Openeye Name: 2-methoxy-N-[3-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)-1-piperidyl]phenyl]benzamide CAS Name: 2-methoxy-N-[3-[4-[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]-1-piperidinyl]phenyl]benzamide IUPAC Name: 2-methoxy-N-[3-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)piperidin-1-yl]phenyl]benzamide Traditional Name: 2-methoxy-N-[3-[4-[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]piperidino]phenyl]benzamide Formula: C28H35N6O2+ MolecularWeight: 487.6165

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C28H34N6O2/c1-36-26-10-3-2-9-25(26)27(35)31-22-7-4-8-24(21-22)33-17-11-23(12-18-33)32-15-6-16-34(20-19-32)28-29-13-5-14-30-28/h2-5,7-10,13-14,21,23H,6,11-12,15-20H2,1H3,(H,31,35)/p+1