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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O/c1-3-16(2)18(20)19(23)22-14-12-21(13-15-22)11-7-10-17-8-5-4-6-9-17/h4-10,16,18H,3,11-15,20H2,1-2H3/p+2/b10-7+/t16-,18+/m0/s1