[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(1-naphthyl)methanone CAS Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]-(1-naphthyl)methanone Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H26N2O4/c1-29-21-14-17(15-22(30-2)23(21)27)16-25-10-12-26(13-11-25)24(28)20-9-5-7-18-6-3-4-8-19(18)20/h3-9,14-15,27H,10-13,16H2,1-2H3/p+1