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

Systemtic Name: 4-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Openeye Name: 4-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Traditional Name: 4-tert-butyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Formula: C26H40N4O+2 MolecularWeight: 424.622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C26H38N4O/c1-26(2,3)22-11-7-21(8-12-22)25(31)27-19-24(30-17-15-29(6)16-18-30)20-9-13-23(14-10-20)28(4)5/h7-14,24H,15-19H2,1-6H3,(H,27,31)/p+2/t24-/m1/s1