N-(6-methyl-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(6-methyl-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(6-methyl-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(6-methyl-1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(6-methyl-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(6-methyl-1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)OCO2

InChI

InChI=1S/C20H23N3O3/c1-15-11-18-19(26-14-25-18)12-17(15)21-20(24)13-22-7-9-23(10-8-22)16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,21,24)/p+1