[(2S,3S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methyl-butyl]ammonium Formula: C18H30N3O+ MolecularWeight: 304.4503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=CC(=C2C)C)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC(=C2C)C)[NH3+]

InChI

InChI=1S/C18H29N3O/c1-5-13(2)17(19)18(22)21-11-9-20(10-12-21)16-8-6-7-14(3)15(16)4/h6-8,13,17H,5,9-12,19H2,1-4H3/p+1/t13-,17-/m0/s1