N-(2,3-dihydro-1H-inden-5-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-N-indan-5-yl-propanamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-N-indan-5-yl-propionamide Formula: C25H32N3O+ MolecularWeight: 390.54108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)CCN3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)CCN3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O/c29-25(26-24-12-11-22-9-4-10-23(22)20-24)13-15-28-18-16-27(17-19-28)14-5-8-21-6-2-1-3-7-21/h1-3,5-8,11-12,20H,4,9-10,13-19H2,(H,26,29)/p+1/b8-5+