N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(5-methylisoxazol-3-yl)propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(5-methylisoxazol-3-yl)propionamide Formula: C18H26N4O2+2 MolecularWeight: 330.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O2/c1-15-13-17(20-24-15)19-18(23)7-8-21-9-11-22(12-10-21)14-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3,(H,19,20,23)/p+2