[4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(1-naphthyl)methanone CAS Name: [4-[(2,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-(2,4-dimethoxybenzyl)piperazin-4-ium-1-yl]-(1-naphthyl)methanone Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C24H26N2O3/c1-28-20-11-10-19(23(16-20)29-2)17-25-12-14-26(15-13-25)24(27)22-9-5-7-18-6-3-4-8-21(18)22/h3-11,16H,12-15,17H2,1-2H3/p+1