dimethyl-[(2S)-1-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylazaniumyl]-3-phenyl-propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylazaniumyl]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylammonio]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylammonio]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylazaniumyl]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylammonio]ethyl]-dimethyl-ammonium Formula: C25H34N2O2+2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC(CC3=CC=CC=C3)[NH+](C)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C[C@H](CC3=CC=CC=C3)[NH+](C)C)C(C)C

InChI

InChI=1S/C25H32N2O2/c1-17(2)22-14-23-20(13-25(28)29-24(23)11-18(22)3)15-26-16-21(27(4)5)12-19-9-7-6-8-10-19/h6-11,13-14,17,21,26H,12,15-16H2,1-5H3/p+2/t21-/m0/s1