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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]azanium Openeye Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]ammonium IUPAC Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]ammonium Formula: C22H25ClN2O2+2 MolecularWeight: 384.8991

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O2/c1-15-9-21-19(11-20(15)23)17(10-22(26)27-21)12-24-18-7-8-25(14-18)13-16-5-3-2-4-6-16/h2-6,9-11,18,24H,7-8,12-14H2,1H3/p+2/t18-/m0/s1