4-butoxy-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 4-butoxy-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-butoxy-benzamide CAS Name: 4-butoxy-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-butoxybenzamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-butoxy-benzamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-2-3-17-30-22-11-9-21(10-12-22)24(29)25-18-23(28)27-15-13-26(14-16-27)19-20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,25,29)/p+1