N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-ethoxy-benzamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-ethoxy-benzamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-ethoxy-benzamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-4-ethoxybenzamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-ethoxybenzamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-ethoxy-benzamide Formula: C23H31N3O4+2 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C23H29N3O4/c1-3-28-19-7-4-17(5-8-19)23(27)24-15-20(26-12-10-25(2)11-13-26)18-6-9-21-22(14-18)30-16-29-21/h4-9,14,20H,3,10-13,15-16H2,1-2H3,(H,24,27)/p+2/t20-/m1/s1