(2S)-2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]-N-(9-ethylcarbazol-3-yl)propanamide

Systemtic Name: (2S)-2-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]-N-(9-ethylcarbazol-3-yl)propanamide Openeye Name: (2S)-2-[4-(2-amino-2-oxo-ethyl)piperazin-1-ium-1-yl]-N-(9-ethylcarbazol-3-yl)propanamide CAS Name: (2S)-2-[4-(2-amino-2-oxoethyl)-1-piperazin-1-iumyl]-N-(9-ethyl-3-carbazolyl)propanamide IUPAC Name: (2S)-2-[4-(2-amino-2-oxoethyl)piperazin-1-ium-1-yl]-N-(9-ethylcarbazol-3-yl)propanamide Traditional Name: (2S)-2-[4-(2-amino-2-keto-ethyl)piperazin-1-ium-1-yl]-N-(9-ethylcarbazol-3-yl)propionamide Formula: C23H30N5O2+ MolecularWeight: 408.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)[NH+]3CCN(CC3)CC(=O)N)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)[NH+]3CCN(CC3)CC(=O)N)C4=CC=CC=C41

InChI

InChI=1S/C23H29N5O2/c1-3-28-20-7-5-4-6-18(20)19-14-17(8-9-21(19)28)25-23(30)16(2)27-12-10-26(11-13-27)15-22(24)29/h4-9,14,16H,3,10-13,15H2,1-2H3,(H2,24,29)(H,25,30)/p+1/t16-/m0/s1