(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]azanium

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]azanium Openeye Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]ammonium IUPAC Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]ammonium Formula: C25H32N2O2+2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C3CC[NH+](C3)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+][C@H]3CC[NH+](C3)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C25H30N2O2/c1-17(2)22-13-23-20(12-25(28)29-24(23)11-18(22)3)14-26-21-9-10-27(16-21)15-19-7-5-4-6-8-19/h4-8,11-13,17,21,26H,9-10,14-16H2,1-3H3/p+2/t21-/m0/s1