[(2S)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[4-(2-chlorobenzyl)piperazine-1-carbonyl]-2-methyl-propyl]ammonium Formula: C16H25ClN3O+ MolecularWeight: 310.8422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=CC=CC=C2Cl)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2Cl)[NH3+]

InChI

InChI=1S/C16H24ClN3O/c1-12(2)15(18)16(21)20-9-7-19(8-10-20)11-13-5-3-4-6-14(13)17/h3-6,12,15H,7-11,18H2,1-2H3/p+1/t15-/m0/s1