N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-4-tert-butyl-benzamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-4-tert-butylbenzamide Traditional Name: 4-tert-butyl-N-[3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)propyl]benzamide Formula: C26H34N3O4+ MolecularWeight: 452.56586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4/c1-26(2,3)21-7-5-20(6-8-21)25(31)27-11-10-24(30)29-14-12-28(13-15-29)17-19-4-9-22-23(16-19)33-18-32-22/h4-9,16H,10-15,17-18H2,1-3H3,(H,27,31)/p+1