2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]-N-propargyl-acetamide Formula: C19H29N3O+2 MolecularWeight: 315.45306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O/c1-4-9-20-19(23)15-22-12-10-21(11-13-22)14-17-5-7-18(8-6-17)16(2)3/h1,5-8,16H,9-15H2,2-3H3,(H,20,23)/p+2