N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N'-propan-2-yl-ethanediamide

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-N'-propan-2-yl-ethanediamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)ethyl]-N'-isopropyl-oxamide CAS Name: N-[2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-N'-propan-2-yloxamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)ethyl]-N'-propan-2-yloxamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)ethyl]-N'-isopropyl-oxamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=O)NCCN1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)C(=O)NCCN1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H28N4O2/c1-15(2)20-18(24)17(23)19-8-9-21-10-12-22(13-11-21)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,19,23)(H,20,24)/p+1