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

Systemtic Name: (2R)-N-cyclopentyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-cyclopentyl-propanamide CAS Name: (2R)-N-cyclopentyl-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-cyclopentyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-cyclopentyl-propionamide Formula: C21H33N3O+2 MolecularWeight: 343.50622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O/c1-18(21(25)22-20-11-5-6-12-20)24-16-14-23(15-17-24)13-7-10-19-8-3-2-4-9-19/h2-4,7-10,18,20H,5-6,11-17H2,1H3,(H,22,25)/p+2/b10-7+/t18-/m1/s1