2-[(S)-[(4R,5R)-2,2-dimethyl-5-(12-methyltridecyl)-1,3-dioxolan-4-yl]-[(4-methoxyphenyl)methoxy]methyl]-3-methyl-1,3-thiazol-3-ium

Systemtic Name: 2-[(S)-[(4R,5R)-2,2-dimethyl-5-(12-methyltridecyl)-1,3-dioxolan-4-yl]-[(4-methoxyphenyl)methoxy]methyl]-3-methyl-1,3-thiazol-3-ium Openeye Name: 2-[(S)-[(4R,5R)-2,2-dimethyl-5-(12-methyltridecyl)-1,3-dioxolan-4-yl]-[(4-methoxyphenyl)methoxy]methyl]-3-methyl-thiazol-3-ium CAS Name: 2-[(S)-[(4R,5R)-2,2-dimethyl-5-(12-methyltridecyl)-1,3-dioxolan-4-yl]-[(4-methoxyphenyl)methoxy]methyl]-3-methylthiazol-3-ium IUPAC Name: 2-[(S)-[(4R,5R)-2,2-dimethyl-5-(12-methyltridecyl)-1,3-dioxolan-4-yl]-[(4-methoxyphenyl)methoxy]methyl]-3-methyl-1,3-thiazol-3-ium Traditional Name: 2-[(S)-[(4R,5R)-2,2-dimethyl-5-(12-methyltridecyl)-1,3-dioxolan-4-yl]-p-anisyloxy-methyl]-3-methyl-thiazol-3-ium Formula: C32H52NO4S+ MolecularWeight: 546.82458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC1C(OC(O1)(C)C)C(C2=[N+](C=CS2)C)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@@H]1[C@@H](OC(O1)(C)C)[C@@H](C2=[N+](C=CS2)C)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C32H52NO4S/c1-25(2)16-14-12-10-8-7-9-11-13-15-17-28-29(37-32(3,4)36-28)30(31-33(5)22-23-38-31)35-24-26-18-20-27(34-6)21-19-26/h18-23,25,28-30H,7-17,24H2,1-6H3/q+1/t28-,29-,30+/m1/s1