(2S,3S)-3-methyl-2-phenyl-1-piperazin-4-ium-1-yl-pentan-1-one

Systemtic Name: (2S,3S)-3-methyl-2-phenyl-1-piperazin-4-ium-1-yl-pentan-1-one Openeye Name: (2S,3S)-3-methyl-2-phenyl-1-piperazin-4-ium-1-yl-pentan-1-one CAS Name: (2S,3S)-3-methyl-2-phenyl-1-(1-piperazin-4-iumyl)-1-pentanone IUPAC Name: (2S,3S)-3-methyl-2-phenyl-1-piperazin-4-ium-1-ylpentan-1-one Traditional Name: (2S,3S)-3-methyl-2-phenyl-1-piperazin-4-ium-1-yl-pentan-1-one Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC[C@H](C)[C@@H](C1=CC=CC=C1)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H24N2O/c1-3-13(2)15(14-7-5-4-6-8-14)16(19)18-11-9-17-10-12-18/h4-8,13,15,17H,3,9-12H2,1-2H3/p+1/t13-,15-/m0/s1