(2S)-2-[2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-(4-benzhydrylpiperazine-1,4-diium-1-yl)acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[2-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-(4-benzhydrylpiperazine-1,4-diium-1-yl)acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-(4-benzhydrylpiperazine-1,4-diium-1-yl)acetyl]amino]-N-propyl-propionamide Formula: C25H36N4O2+2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C[NH+]1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C[NH+]1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2/c1-3-14-26-25(31)20(2)27-23(30)19-28-15-17-29(18-16-28)24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,20,24H,3,14-19H2,1-2H3,(H,26,31)(H,27,30)/p+2/t20-/m0/s1