[(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-6-methyl-heptyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-6-methyl-heptyl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(3R)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-6-methyl-heptyl]-(2-thienylmethyl)ammonium CAS Name: [(3R)-3-[(4S)-2,2-dimethyl-4-oxanyl]-6-methylheptyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-6-methylheptyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(3R)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-6-methyl-heptyl]-(2-thenyl)ammonium Formula: C20H36NOS+ MolecularWeight: 338.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CC1=CC=CS1)C2CCOC(C2)(C)C

Isomeric SMILES

CC(C)CC[C@H](CC[NH2+]CC1=CC=CS1)[C@H]2CCOC(C2)(C)C

InChI

InChI=1S/C20H35NOS/c1-16(2)7-8-17(18-10-12-22-20(3,4)14-18)9-11-21-15-19-6-5-13-23-19/h5-6,13,16-18,21H,7-12,14-15H2,1-4H3/p+1/t17-,18+/m1/s1