[(2S)-3-methyl-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-2-yl]azanium Openeye Name: [(1S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]butan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-2-yl]azanium Traditional Name: [(1S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]ammonium Formula: C18H29N3O+2 MolecularWeight: 303.44236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC=CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)C/C=C/C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C18H27N3O/c1-15(2)17(19)18(22)21-13-11-20(12-14-21)10-6-9-16-7-4-3-5-8-16/h3-9,15,17H,10-14,19H2,1-2H3/p+2/b9-6+/t17-/m0/s1