N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanamide

Systemtic Name: N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanamide Openeye Name: N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]acetamide CAS Name: N-[4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]acetamide Traditional Name: N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]acetamide Formula: C18H24N4O+2 MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H22N4O/c1-15(23)20-17-7-5-16(6-8-17)14-21-10-12-22(13-11-21)18-4-2-3-9-19-18/h2-9H,10-14H2,1H3,(H,20,23)/p+2