2-[4-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[2-[4-(o-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[2-keto-2-[4-(2-methylbenzyl)piperazino]ethyl]piperazin-1-ium-1-yl]acetamide Formula: C23H36N5O2+ MolecularWeight: 414.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CN3CC[NH+](CC3)CC(=O)NCC=C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CN3CC[NH+](CC3)CC(=O)NCC=C

InChI

InChI=1S/C23H35N5O2/c1-3-8-24-22(29)18-26-9-11-27(12-10-26)19-23(30)28-15-13-25(14-16-28)17-21-7-5-4-6-20(21)2/h3-7H,1,8-19H2,2H3,(H,24,29)/p+1