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

Systemtic Name: 1-(naphthalen-1-ylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(1-naphthylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(1-naphthalenylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(naphthalen-1-ylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(1-naphthylmethyl)-4-(2,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43)OC)OC

InChI

InChI=1S/C25H30N2O3/c1-28-23-16-25(30-3)24(29-2)15-21(23)18-27-13-11-26(12-14-27)17-20-9-6-8-19-7-4-5-10-22(19)20/h4-10,15-16H,11-14,17-18H2,1-3H3/p+1