1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methanone CAS Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(4-thianyl)-3-piperidin-1-iumyl]methanone IUPAC Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: acenaphthen-5-yl-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methanone Formula: C23H28NOS+ MolecularWeight: 366.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCSCC2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCSCC2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C23H27NOS/c25-23(18-4-2-12-24(15-18)19-10-13-26-14-11-19)21-9-8-17-7-6-16-3-1-5-20(21)22(16)17/h1,3,5,8-9,18-19H,2,4,6-7,10-15H2/p+1/t18-/m0/s1