(2S)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-4-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-4-ium-1-yl]propanamide Openeye Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-4-ium-1-yl]propanamide CAS Name: (2S)-N-(9-ethyl-3-carbazolyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-diazepan-4-ium-1-yl]propanamide IUPAC Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-4-ium-1-yl]propanamide Traditional Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-[4-(2-keto-2-pyrrolidino-ethyl)-1,4-diazepan-4-ium-1-yl]propionamide Formula: C28H38N5O2+ MolecularWeight: 476.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)N3CCC[NH+](CC3)CC(=O)N4CCCC4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)N3CCC[NH+](CC3)CC(=O)N4CCCC4)C5=CC=CC=C51

InChI

InChI=1S/C28H37N5O2/c1-3-33-25-10-5-4-9-23(25)24-19-22(11-12-26(24)33)29-28(35)21(2)31-16-8-13-30(17-18-31)20-27(34)32-14-6-7-15-32/h4-5,9-12,19,21H,3,6-8,13-18,20H2,1-2H3,(H,29,35)/p+1/t21-/m0/s1