4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperazin-4-ium-1-carboxamide Traditional Name: N,N-diethyl-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-3-19(4-2)17(21)20-9-7-18(8-10-20)12-14-5-6-15-16(11-14)23-13-22-15/h5-6,11H,3-4,7-10,12-13H2,1-2H3/p+1