2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl-(phenylmethyl)azanium

Systemtic Name: 2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(4S)-4-isopentyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]ammonium CAS Name: 2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)-4-oxanyl]ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(4S)-2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]azanium Traditional Name: benzyl-[2-[(4S)-4-isoamyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]ammonium Formula: C21H36NO+ MolecularWeight: 318.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCOC(C1)(C)C)CC[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC[C@@]1(CCOC(C1)(C)C)CC[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C21H35NO/c1-18(2)10-11-21(13-15-23-20(3,4)17-21)12-14-22-16-19-8-6-5-7-9-19/h5-9,18,22H,10-17H2,1-4H3/p+1/t21-/m0/s1