cyclododecyl-[(2S)-3,4-dimethyl-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-2-yl]azanium

Systemtic Name: cyclododecyl-[(2S)-3,4-dimethyl-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-2-yl]azanium Openeye Name: [(2S)-1-benzyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-cyclododecyl-ammonium CAS Name: cyclododecyl-[(2S)-3,4-dimethyl-5-oxo-1-(phenylmethyl)-2H-pyrrol-2-yl]ammonium IUPAC Name: [(2S)-1-benzyl-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]-cyclododecylazanium Traditional Name: [(2S)-1-benzyl-5-keto-3,4-dimethyl-3-pyrrolin-2-yl]-cyclododecyl-ammonium Formula: C25H39N2O+ MolecularWeight: 383.58996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1[NH2+]C2CCCCCCCCCCC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=O)N([C@@H]1[NH2+]C2CCCCCCCCCCC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H38N2O/c1-20-21(2)25(28)27(19-22-15-11-10-12-16-22)24(20)26-23-17-13-8-6-4-3-5-7-9-14-18-23/h10-12,15-16,23-24,26H,3-9,13-14,17-19H2,1-2H3/p+1/t24-/m0/s1