N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-tert-butyl-benzamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-tert-butyl-benzamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-tert-butyl-benzamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-4-tert-butylbenzamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-tert-butylbenzamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-tert-butyl-benzamide Formula: C25H35N3O3+2 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C25H33N3O3/c1-25(2,3)20-8-5-18(6-9-20)24(29)26-16-21(28-13-11-27(4)12-14-28)19-7-10-22-23(15-19)31-17-30-22/h5-10,15,21H,11-14,16-17H2,1-4H3,(H,26,29)/p+2/t21-/m1/s1