[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)[C@@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H22N2O3/c1-2-7-17-8-10-18(11-9-17)16(19)15-12-20-13-5-3-4-6-14(13)21-15/h3-6,15H,2,7-12H2,1H3/p+1/t15-/m0/s1