N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]phenyl]acetamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3/c1-16(25)22-19-5-2-17(3-6-19)13-23-8-10-24(11-9-23)14-18-4-7-20-21(12-18)27-15-26-20/h2-7,12H,8-11,13-15H2,1H3,(H,22,25)/p+1