3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-ethyl-2-oxo-benzimidazol-1-yl)propanamide CAS Name: 3-(3-ethyl-2-oxo-1-benzimidazolyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(3-ethyl-2-keto-benzimidazol-1-yl)propionamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2/c1-2-26-20-10-6-7-11-21(20)27(23(26)29)15-13-22(28)24-19-12-14-25(17-19)16-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3,(H,24,28)/p+1/t19-/m0/s1