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

Systemtic Name: N-[4-(diethylamino)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(diethylamino)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(diethylamino)phenyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(diethylamino)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(diethylamino)phenyl]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-3-25(4-2)19-10-8-18(9-11-19)23-21(27)17-24-13-15-26(16-14-24)20-7-5-6-12-22-20/h5-12H,3-4,13-17H2,1-2H3,(H,23,27)/p+2