(4-dimethylaminophenyl)methyl-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-pentyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methyl-pentyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(3S)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-4-methyl-pentyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(3S)-3-[(4R)-2,2-dimethyl-4-oxanyl]-4-methylpentyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[(3S)-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-4-methyl-pentyl]ammonium Formula: C22H39N2O+ MolecularWeight: 347.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH2+]CC1=CC=C(C=C1)N(C)C)C2CCOC(C2)(C)C

Isomeric SMILES

CC(C)[C@H](CC[NH2+]CC1=CC=C(C=C1)N(C)C)[C@@H]2CCOC(C2)(C)C

InChI

InChI=1S/C22H38N2O/c1-17(2)21(19-12-14-25-22(3,4)15-19)11-13-23-16-18-7-9-20(10-8-18)24(5)6/h7-10,17,19,21,23H,11-16H2,1-6H3/p+1/t19-,21+/m1/s1