methyl-[(3S)-1-(2-oxidanylidenechromen-3-yl)carbonylpiperidin-3-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(3S)-1-(2-oxidanylidenechromen-3-yl)carbonylpiperidin-3-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(3S)-1-(2-oxochromene-3-carbonyl)-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(2-oxochromene-3-carbonyl)piperidin-3-yl]azanium Traditional Name: benzyl-[(3S)-1-(2-ketochromene-3-carbonyl)-3-piperidyl]-methyl-ammonium Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H24N2O3/c1-24(15-17-8-3-2-4-9-17)19-11-7-13-25(16-19)22(26)20-14-18-10-5-6-12-21(18)28-23(20)27/h2-6,8-10,12,14,19H,7,11,13,15-16H2,1H3/p+1/t19-/m0/s1