2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]-N-propargyl-acetamide Formula: C18H27N3O2+2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)NCC#C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)NCC#C

InChI

InChI=1S/C18H25N3O2/c1-4-7-19-18(22)14-21-10-8-20(9-11-21)13-16-12-15(2)5-6-17(16)23-3/h1,5-6,12H,7-11,13-14H2,2-3H3,(H,19,22)/p+2