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

Systemtic Name: N,N-dimethyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)piperidin-1-yl]benzamide Openeye Name: N,N-dimethyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)-1-piperidyl]benzamide CAS Name: N,N-dimethyl-4-[4-[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]-1-piperidinyl]benzamide IUPAC Name: N,N-dimethyl-4-[4-(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)piperidin-1-yl]benzamide Traditional Name: N,N-dimethyl-4-[4-[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]piperidino]benzamide Formula: C23H33N6O+ MolecularWeight: 409.54772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)N2CCC(CC2)[NH+]3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)N2CCC(CC2)[NH+]3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H32N6O/c1-26(2)22(30)19-5-7-20(8-6-19)28-15-9-21(10-16-28)27-13-4-14-29(18-17-27)23-24-11-3-12-25-23/h3,5-8,11-12,21H,4,9-10,13-18H2,1-2H3/p+1