(7-chloranyl-1,3-benzodioxol-5-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (7-chloro-1,3-benzodioxol-5-yl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C20H22ClN2O3+ MolecularWeight: 373.85328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H21ClN2O3/c21-17-12-16(13-18-19(17)26-14-25-18)20(24)23-10-8-22(9-11-23)7-6-15-4-2-1-3-5-15/h1-5,12-13H,6-11,14H2/p+1