N-(3-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[2-keto-2-(4-methylpiperazino)ethyl]piperazin-4-ium-1-carboxamide Formula: C18H27ClN5O2+ MolecularWeight: 380.89228

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H26ClN5O2/c1-21-5-9-23(10-6-21)17(25)14-22-7-11-24(12-8-22)18(26)20-16-4-2-3-15(19)13-16/h2-4,13H,5-12,14H2,1H3,(H,20,26)/p+1