2-[4-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C21H34ClN5O2+2 MolecularWeight: 423.97996

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H32ClN5O2/c1-2-6-23-20(28)16-24-9-13-27(14-10-24)21(29)17-25-7-11-26(12-8-25)19-5-3-4-18(22)15-19/h3-5,15H,2,6-14,16-17H2,1H3,(H,23,28)/p+2