(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)ammonium Formula: C17H23ClN2O2+2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC[NH+]3CCCC3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC[NH+]3CCCC3)Cl

InChI

InChI=1S/C17H21ClN2O2/c1-12-8-16-14(10-15(12)18)13(9-17(21)22-16)11-19-4-7-20-5-2-3-6-20/h8-10,19H,2-7,11H2,1H3/p+2