methyl 2-methyl-5-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-3-carboxylic acid methyl ester Formula: C23H28N2O3+2 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C23H26N2O3/c1-17-22(23(26)27-2)14-20(28-17)16-25-12-10-24(11-13-25)15-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,14H,10-13,15-16H2,1-2H3/p+2