3-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propylazanium

Systemtic Name: 3-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propylazanium Openeye Name: 3-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propylammonium CAS Name: 3-[4-[(3,5-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]propylammonium IUPAC Name: 3-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propylazanium Traditional Name: 3-[4-(3,5-dimethoxybenzyl)piperazin-1-ium-1-yl]propylammonium Formula: C16H29N3O2+2 MolecularWeight: 295.42036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC[NH+](CC2)CCC[NH3+])OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+](CC2)CCC[NH3+])OC

InChI

InChI=1S/C16H27N3O2/c1-20-15-10-14(11-16(12-15)21-2)13-19-8-6-18(7-9-19)5-3-4-17/h10-12H,3-9,13,17H2,1-2H3/p+2