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

Systemtic Name: 6-methyl-4-oxidanylidene-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]chromene-2-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-6-methyl-4-oxo-chromene-2-carboxamide CAS Name: 6-methyl-4-oxo-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1-benzopyran-2-carboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-6-methyl-4-oxochromene-2-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-keto-6-methyl-chromene-2-carboxamide Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3/c1-15-7-8-20-18(11-15)19(25)12-21(27-20)22(26)23-17-9-10-24(14-17)13-16-5-3-2-4-6-16/h2-8,11-12,17H,9-10,13-14H2,1H3,(H,23,26)/p+1/t17-/m0/s1