2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4S)-chroman-4-yl]acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(4S)-chroman-4-yl]acetamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H24ClN3O2/c22-16-4-3-5-17(14-16)25-11-9-24(10-12-25)15-21(26)23-19-8-13-27-20-7-2-1-6-18(19)20/h1-7,14,19H,8-13,15H2,(H,23,26)/p+1/t19-/m0/s1