(1R)-5-bromanyl-3-phenylimino-1-(piperidin-1-ium-1-ylmethyl)-1H-inden-2-one

Systemtic Name: (1R)-5-bromanyl-3-phenylimino-1-(piperidin-1-ium-1-ylmethyl)-1H-inden-2-one Openeye Name: (1R)-5-bromo-3-phenylimino-1-(piperidin-1-ium-1-ylmethyl)indan-2-one CAS Name: (1R)-5-bromo-3-phenylimino-1-(1-piperidin-1-iumylmethyl)-1H-inden-2-one IUPAC Name: (1R)-5-bromo-3-phenylimino-1-(piperidin-1-ium-1-ylmethyl)-1H-inden-2-one Traditional Name: (1R)-5-bromo-3-phenylimino-1-(piperidin-1-ium-1-ylmethyl)indan-2-one Formula: C21H22BrN2O+ MolecularWeight: 398.31618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2C3=C(C=C(C=C3)Br)C(=NC4=CC=CC=C4)C2=O

Isomeric SMILES

C1CC[NH+](CC1)C[C@H]2C3=C(C=C(C=C3)Br)C(=NC4=CC=CC=C4)C2=O

InChI

InChI=1S/C21H21BrN2O/c22-15-9-10-17-18(13-15)20(23-16-7-3-1-4-8-16)21(25)19(17)14-24-11-5-2-6-12-24/h1,3-4,7-10,13,19H,2,5-6,11-12,14H2/p+1/t19-/m0/s1