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

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

Systemtic Name:methyl-[(2S)-3-methyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]-(phenylmethyl)azanium
Openeye Name:benzyl-methyl-[(1S)-2-methyl-1-(piperazine-1-carbonyl)propyl]ammonium
CAS Name:methyl-[(2S)-3-methyl-1-oxo-1-(1-piperazinyl)butan-2-yl]-(phenylmethyl)ammonium
IUPAC Name:benzyl-methyl-[(2S)-3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl]azanium
Traditional Name:benzyl-methyl-[(1S)-2-methyl-1-(piperazine-1-carbonyl)propyl]ammonium
Formula: C17H28N3O+
MolecularWeight: 290.42372
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCNCC1)[NH+](C)CC2=CC=CC=C2


Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCNCC1)[NH+](C)CC2=CC=CC=C2


InChI

InChI=1S/C17H27N3O/c1-14(2)16(17(21)20-11-9-18-10-12-20)19(3)13-15-7-5-4-6-8-15/h4-8,14,16,18H,9-13H2,1-3H3/p+1/t16-/m0/s1


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