(2R)-2-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2R)-2-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2R)-2-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propyl-propanamide CAS Name: (2R)-2-[[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2R)-2-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propylpropanamide Traditional Name: (2R)-2-[[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-propyl-propionamide Formula: C18H28N5O4+ MolecularWeight: 378.44602

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O4/c1-3-8-19-18(25)14(2)20-17(24)13-21-9-11-22(12-10-21)15-4-6-16(7-5-15)23(26)27/h4-7,14H,3,8-13H2,1-2H3,(H,19,25)(H,20,24)/p+1/t14-/m1/s1