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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O2/c1-20-15-5-4-14(12-16(15)21-2)13-19-10-8-18(9-11-19)7-3-6-17/h4-5,12H,3,6-11,13,17H2,1-2H3/p+2