3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide

Systemtic Name: 3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide Openeye Name: 3-(4,7-dimethyl-2-oxo-chromen-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide CAS Name: 3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide Traditional Name: 3-(2-keto-4,7-dimethyl-chromen-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propionamide Formula: C27H33N2O4+ MolecularWeight: 449.56192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4)C

InChI

InChI=1S/C27H32N2O4/c1-18-6-11-22-19(2)23(27(31)33-25(22)16-18)12-13-26(30)28-17-24(29-14-4-5-15-29)20-7-9-21(32-3)10-8-20/h6-11,16,24H,4-5,12-15,17H2,1-3H3,(H,28,30)/p+1/t24-/m0/s1