2-ethoxy-N-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 2-ethoxy-N-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 2-ethoxy-N-[2-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 2-ethoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 2-ethoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: 2-ethoxy-N-[2-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]benzamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H33N3O3/c1-4-31-23-8-6-5-7-22(23)25(30)26-17-24(29)28-15-13-27(14-16-28)18-20-9-11-21(12-10-20)19(2)3/h5-12,19H,4,13-18H2,1-3H3,(H,26,30)/p+1