3-(1,3-benzodioxol-5-yl)-N-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]ethyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]ethyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]propionamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CCNC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)CCNC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O3/c1-25-13-14-26(20(16-25)19-5-3-2-4-6-19)12-11-24-23(27)10-8-18-7-9-21-22(15-18)29-17-28-21/h2-7,9,15,20H,8,10-14,16-17H2,1H3,(H,24,27)/p+1/t20-/m1/s1