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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-2-3-6-18-17(21)20-9-7-19(8-10-20)12-14-4-5-15-16(11-14)23-13-22-15/h4-5,11H,2-3,6-10,12-13H2,1H3,(H,18,21)/p+1