2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yl-oxan-4-yl]ethyl-(phenylmethyl)azanium

Systemtic Name: 2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yl-oxan-4-yl]ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(2R,4R)-4-isopentyl-2-isopropyl-tetrahydropyran-4-yl]ethyl]ammonium CAS Name: 2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yl-4-oxanyl]ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(2R,4R)-4-(3-methylbutyl)-2-propan-2-yloxan-4-yl]ethyl]azanium Traditional Name: benzyl-[2-[(2R,4R)-4-isoamyl-2-isopropyl-tetrahydropyran-4-yl]ethyl]ammonium Formula: C22H38NO+ MolecularWeight: 332.54322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO/c1-18(2)10-11-22(13-15-24-21(16-22)19(3)4)12-14-23-17-20-8-6-5-7-9-20/h5-9,18-19,21,23H,10-17H2,1-4H3/p+1/t21-,22-/m1/s1