(2S)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: (2S)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-thienylmethyl)propanamide CAS Name: (2S)-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: (2S)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: (2S)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-thenyl)propionamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3S/c1-14(18(23)19-13-15-5-4-12-26-15)20-8-10-21(11-9-20)16-6-2-3-7-17(16)22(24)25/h2-7,12,14H,8-11,13H2,1H3,(H,19,23)/p+1/t14-/m0/s1