1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methoxy-naphthalen-2-ol

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methoxy-naphthalen-2-ol Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methoxy-naphthalen-2-ol CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-7-methoxy-2-naphthalenol IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methoxynaphthalen-2-ol Traditional Name: 7-methoxy-1-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-2-naphthol Formula: C24H28N2O4+2 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C24H26N2O4/c1-28-19-5-3-18-4-6-22(27)21(20(18)13-19)15-26-10-8-25(9-11-26)14-17-2-7-23-24(12-17)30-16-29-23/h2-7,12-13,27H,8-11,14-16H2,1H3/p+2