[(2R)-2,6-dimethylhept-5-enyl]-[[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: [(2R)-2,6-dimethylhept-5-enyl]-[[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-3-pyridyl]methyl-[(2R)-2,6-dimethylhept-5-enyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridinyl]methyl-[(2R)-2,6-dimethylhept-5-enyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-3-yl]methyl-[(2R)-2,6-dimethylhept-5-enyl]azanium Traditional Name: [2-(4-acetylpiperazino)-3-pyridyl]methyl-[(2R)-2,6-dimethylhept-5-enyl]ammonium Formula: C21H35N4O+ MolecularWeight: 359.5288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)C[NH2+]CC1=C(N=CC=C1)N2CCN(CC2)C(=O)C

Isomeric SMILES

C[C@H](CCC=C(C)C)C[NH2+]CC1=C(N=CC=C1)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C21H34N4O/c1-17(2)7-5-8-18(3)15-22-16-20-9-6-10-23-21(20)25-13-11-24(12-14-25)19(4)26/h6-7,9-10,18,22H,5,8,11-16H2,1-4H3/p+1/t18-/m1/s1