N-[3-[methyl(phenyl)amino]propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-[methyl(phenyl)amino]propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(N-methylanilino)propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(N-methylanilino)propyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(N-methylanilino)propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(N-methylanilino)propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C21H31N5O+2 MolecularWeight: 369.50374

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2)C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2)C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O/c1-24(19-8-3-2-4-9-19)13-7-12-23-21(27)18-25-14-16-26(17-15-25)20-10-5-6-11-22-20/h2-6,8-11H,7,12-18H2,1H3,(H,23,27)/p+2