N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-phenyl-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-phenyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C18H24N4O+2 MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H22N4O/c23-18(20-16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)17-8-4-5-10-19-17/h1-8,10H,9,11-15H2,(H,20,23)/p+2