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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methoxy-benzamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methoxy-benzamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-3-methoxybenzamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methoxybenzamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-methoxy-benzamide Formula: C22H29N3O4+2 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC(=O)C2=CC(=CC=C2)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC(=O)C2=CC(=CC=C2)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O4/c1-24-8-10-25(11-9-24)19(16-6-7-20-21(13-16)29-15-28-20)14-23-22(26)17-4-3-5-18(12-17)27-2/h3-7,12-13,19H,8-11,14-15H2,1-2H3,(H,23,26)/p+2/t19-/m1/s1