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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide CAS Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]acetamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O4/c1-15(25)22-18-4-2-3-17(12-18)21(26)24-9-7-23(8-10-24)13-16-5-6-19-20(11-16)28-14-27-19/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,25)/p+1