4-[[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]benzamide CAS Name: 4-[[(2R)-1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]benzamide Formula: C19H25N5O2+2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2/c1-14(19(26)22-16-7-5-15(6-8-16)18(20)25)23-10-12-24(13-11-23)17-4-2-3-9-21-17/h2-9,14H,10-13H2,1H3,(H2,20,25)(H,22,26)/p+2/t14-/m1/s1