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

Systemtic Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]butanamide Openeye Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]butanamide CAS Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]butanamide Traditional Name: N-[4-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]butyramide Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-2-3-22(27)24-19-7-5-18(6-8-19)23(28)26-12-10-25(11-13-26)15-17-4-9-20-21(14-17)30-16-29-20/h4-9,14H,2-3,10-13,15-16H2,1H3,(H,24,27)/p+1