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

Systemtic Name: cyclododecyl-[(2S)-3,4-dimethyl-5-oxidanylidene-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-2-yl]azanium Openeye Name: cyclododecyl-[(2S)-3,4-dimethyl-1-[(1S)-1-methyl-3-phenyl-propyl]-5-oxo-2H-pyrrol-2-yl]ammonium CAS Name: cyclododecyl-[(2S)-3,4-dimethyl-5-oxo-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-2-yl]ammonium IUPAC Name: cyclododecyl-[(2S)-3,4-dimethyl-5-oxo-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-2-yl]azanium Traditional Name: cyclododecyl-[(2S)-5-keto-3,4-dimethyl-1-[(1S)-1-methyl-3-phenyl-propyl]-3-pyrrolin-2-yl]ammonium Formula: C28H45N2O+ MolecularWeight: 425.6697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1[NH2+]C2CCCCCCCCCCC2)C(C)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=O)N([C@@H]1[NH2+]C2CCCCCCCCCCC2)[C@@H](C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C28H44N2O/c1-22(20-21-25-16-12-11-13-17-25)30-27(23(2)24(3)28(30)31)29-26-18-14-9-7-5-4-6-8-10-15-19-26/h11-13,16-17,22,26-27,29H,4-10,14-15,18-21H2,1-3H3/p+1/t22-,27-/m0/s1