1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-chloranyl-2-methyl-phenoxy)butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-chloranyl-2-methyl-phenoxy)butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-chloro-2-methyl-phenoxy)butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-(4-chloro-2-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-chloro-2-methylphenoxy)butan-1-one Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-1-(4-piperonylpiperazin-4-ium-1-yl)butan-1-one Formula: C23H28ClN2O4+ MolecularWeight: 431.93242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27ClN2O4/c1-17-13-19(24)5-7-20(17)28-12-2-3-23(27)26-10-8-25(9-11-26)15-18-4-6-21-22(14-18)30-16-29-21/h4-7,13-14H,2-3,8-12,15-16H2,1H3/p+1