N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]cyclopropanecarboxamide Openeye Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]cyclopropanecarboxamide CAS Name: N-[3-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]propyl]cyclopropanecarboxamide IUPAC Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]cyclopropanecarboxamide Traditional Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenoxy]propyl]cyclopropanecarboxamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NCCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC1C(=O)NCCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H30N4O2/c28-23(20-7-8-20)25-12-3-17-29-21-9-5-19(6-10-21)18-26-13-15-27(16-14-26)22-4-1-2-11-24-22/h1-2,4-6,9-11,20H,3,7-8,12-18H2,(H,25,28)/p+1