(2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-propan-2-yl-propanamide

Systemtic Name: (2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-propan-2-yl-propanamide Openeye Name: (2S)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-isopropyl-propanamide CAS Name: (2S)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-propan-2-ylpropanamide Traditional Name: (2S)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-isopropyl-propionamide Formula: C19H31N3O+2 MolecularWeight: 317.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)[NH+]1CC[NH+](CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)[NH+]1CC[NH+](CC1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C19H29N3O/c1-16(2)20-19(23)17(3)22-14-12-21(13-15-22)11-7-10-18-8-5-4-6-9-18/h4-10,16-17H,11-15H2,1-3H3,(H,20,23)/p+2/b10-7+/t17-/m0/s1