3-[4-(3,4-dimethylphenyl)carbonylpiperazin-1-yl]propylazanium

Systemtic Name: 3-[4-(3,4-dimethylphenyl)carbonylpiperazin-1-yl]propylazanium Openeye Name: 3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]propylammonium CAS Name: 3-[4-[(3,4-dimethylphenyl)-oxomethyl]-1-piperazinyl]propylammonium IUPAC Name: 3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]propylazanium Traditional Name: 3-[4-(3,4-dimethylbenzoyl)piperazino]propylammonium Formula: C16H26N3O+ MolecularWeight: 276.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC[NH3+])C

InChI

InChI=1S/C16H25N3O/c1-13-4-5-15(12-14(13)2)16(20)19-10-8-18(9-11-19)7-3-6-17/h4-5,12H,3,6-11,17H2,1-2H3/p+1