N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-chloranyl-benzamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-chloranyl-benzamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-chloro-benzamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-4-chlorobenzamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-chlorobenzamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-chloro-benzamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24ClN3O3/c1-24-8-10-25(11-9-24)18(16-4-7-19-20(12-16)28-14-27-19)13-23-21(26)15-2-5-17(22)6-3-15/h2-7,12,18H,8-11,13-14H2,1H3,(H,23,26)/p+1/t18-/m1/s1