(2S)-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-ethyl-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-benzyl-N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-3-23(17-19-7-5-4-6-8-19)22(27)18(2)24-13-15-25(16-14-24)20-9-11-21(12-10-20)26(28)29/h4-12,18H,3,13-17H2,1-2H3/p+1/t18-/m0/s1