N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-ethoxy-benzamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-ethoxy-benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-ethoxy-benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-4-ethoxybenzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-ethoxybenzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-ethoxy-benzamide Formula: C24H35N4O2+ MolecularWeight: 411.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)N3CC[NH+](CC3)C

InChI

InChI=1S/C24H34N4O2/c1-5-30-22-12-8-20(9-13-22)24(29)25-18-23(28-16-14-27(4)15-17-28)19-6-10-21(11-7-19)26(2)3/h6-13,23H,5,14-18H2,1-4H3,(H,25,29)/p+1/t23-/m1/s1