(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(2R)-1-methylsulfonylpyrrolidin-2-yl]carbonyl-azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(2R)-1-methylsulfonylpyrrolidin-2-yl]carbonyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(2R)-1-methylsulfonylpyrrolidine-2-carbonyl]ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[(2R)-1-methylsulfonyl-2-pyrrolidinyl]-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(2R)-1-methylsulfonylpyrrolidine-2-carbonyl]azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(2R)-1-mesylprolyl]ammonium Formula: C16H23N2O5S+ MolecularWeight: 355.42922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)C3CCCN3S(=O)(=O)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)[C@H]3CCCN3S(=O)(=O)C)CC2OC(=C1)O

InChI

InChI=1S/C16H22N2O5S/c1-10-8-15(19)23-14-9-11(5-6-12(10)14)17-16(20)13-4-3-7-18(13)24(2,21)22/h8,13-14,19H,3-7,9H2,1-2H3/p+1/t13-,14?/m1/s1