(2S)-N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-cyclopropyl-2-[4-(2-nitrobenzyl)piperazin-1-ium-1-yl]propionamide Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH+]2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O3/c1-13(17(22)18-15-6-7-15)20-10-8-19(9-11-20)12-14-4-2-3-5-16(14)21(23)24/h2-5,13,15H,6-12H2,1H3,(H,18,22)/p+1/t13-/m0/s1