naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1-naphthyl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1-naphthalenyl-[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1-naphthyl-[4-(2,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)OC)OC

InChI

InChI=1S/C25H28N2O4/c1-29-22-16-24(31-3)23(30-2)15-19(22)17-26-11-13-27(14-12-26)25(28)21-10-6-8-18-7-4-5-9-20(18)21/h4-10,15-16H,11-14,17H2,1-3H3/p+1