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

Systemtic Name: 4-ethoxy-N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-ethoxy-N-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: 4-ethoxy-N-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: 4-ethoxy-N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: 4-ethoxy-N-[2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C23H29N3O3/c1-3-29-21-10-8-19(9-11-21)23(28)24-16-22(27)26-14-12-25(13-15-26)17-20-7-5-4-6-18(20)2/h4-11H,3,12-17H2,1-2H3,(H,24,28)/p+1