2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl-[(1R)-1-thiophen-2-ylethyl]azanium

Systemtic Name: 2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: 2-[(4S)-4-isopentyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: 2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)-4-oxanyl]ethyl-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: 2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: 2-[(4S)-4-isoamyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl-[(1R)-1-(2-thienyl)ethyl]ammonium Formula: C20H36NOS+ MolecularWeight: 338.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCOC(C1)(C)C)CC[NH2+]C(C)C2=CC=CS2

Isomeric SMILES

C[C@H](C1=CC=CS1)[NH2+]CC[C@]2(CCOC(C2)(C)C)CCC(C)C

InChI

InChI=1S/C20H35NOS/c1-16(2)8-9-20(11-13-22-19(4,5)15-20)10-12-21-17(3)18-7-6-14-23-18/h6-7,14,16-17,21H,8-13,15H2,1-5H3/p+1/t17-,20+/m1/s1