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

Systemtic Name: 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-ium-1-yl]propylazanium Openeye Name: 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-ium-1-yl]propylammonium CAS Name: 3-[4-[(3,4-dimethylphenyl)methyl]-1-piperazin-1-iumyl]propylammonium IUPAC Name: 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-ium-1-yl]propylazanium Traditional Name: 3-[4-(3,4-dimethylbenzyl)piperazin-1-ium-1-yl]propylammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CC[NH+](CC2)CCC[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CC[NH+](CC2)CCC[NH3+])C

InChI

InChI=1S/C16H27N3/c1-14-4-5-16(12-15(14)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