(3R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-butan-1-one

Systemtic Name: (3R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-butan-1-one Openeye Name: (3R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-butan-1-one CAS Name: (3R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-phenyl-1-butanone IUPAC Name: (3R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-phenylbutan-1-one Traditional Name: (3R)-3-phenyl-1-(4-piperonylpiperazin-4-ium-1-yl)butan-1-one Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O3/c1-17(19-5-3-2-4-6-19)13-22(25)24-11-9-23(10-12-24)15-18-7-8-20-21(14-18)27-16-26-20/h2-8,14,17H,9-13,15-16H2,1H3/p+1/t17-/m1/s1