2,3-dihydro-1H-inden-5-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 2,3-dihydro-1H-inden-5-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: indan-5-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2,3-dihydro-1H-inden-5-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 2,3-dihydro-1H-inden-5-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: indan-5-yl-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(CCC4)C=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(CCC4)C=C3)OC)OC

InChI

InChI=1S/C24H30N2O4/c1-28-21-10-9-20(22(29-2)23(21)30-3)16-25-11-13-26(14-12-25)24(27)19-8-7-17-5-4-6-18(17)15-19/h7-10,15H,4-6,11-14,16H2,1-3H3/p+1