3-methyl-4-oxidanylidene-2-phenyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]chromene-8-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-2-phenyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]chromene-8-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-methyl-4-oxo-2-phenyl-chromene-8-carboxamide CAS Name: 3-methyl-4-oxo-2-phenyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1-benzopyran-8-carboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-keto-3-methyl-2-phenyl-chromene-8-carboxamide Formula: C28H27N2O3+ MolecularWeight: 439.52558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N2O3/c1-19-25(31)23-13-8-14-24(27(23)33-26(19)21-11-6-3-7-12-21)28(32)29-22-15-16-30(18-22)17-20-9-4-2-5-10-20/h2-14,22H,15-18H2,1H3,(H,29,32)/p+1/t22-/m0/s1