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

Systemtic Name: [(2S)-4-methyl-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pentan-2-yl]azanium Openeye Name: [(1S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-4-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]pentan-2-yl]ammonium IUPAC Name: [(2S)-4-methyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pentan-2-yl]azanium Traditional Name: [(1S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-3-methyl-butyl]ammonium Formula: C19H31N3O+2 MolecularWeight: 317.46894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O/c1-16(2)15-18(20)19(23)22-13-11-21(12-14-22)10-6-9-17-7-4-3-5-8-17/h3-9,16,18H,10-15,20H2,1-2H3/p+2/b9-6+/t18-/m0/s1