N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H26N4O3+2 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCO2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H24N4O3/c1-15(16-5-6-17-18(12-16)27-14-26-17)22-20(25)13-23-8-10-24(11-9-23)19-4-2-3-7-21-19/h2-7,12,15H,8-11,13-14H2,1H3,(H,22,25)/p+2/t15-/m1/s1