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

Systemtic Name: 4-methyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzamide Openeye Name: 4-methyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzamide CAS Name: 4-methyl-N-[3-[4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenoxy]propyl]benzamide IUPAC Name: 4-methyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzamide Traditional Name: 4-methyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]benzamide Formula: C27H34N4O2+2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCCOC2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCCOC2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C27H32N4O2/c1-22-6-10-24(11-7-22)27(32)29-15-4-20-33-25-12-8-23(9-13-25)21-30-16-18-31(19-17-30)26-5-2-3-14-28-26/h2-3,5-14H,4,15-21H2,1H3,(H,29,32)/p+2