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

Systemtic Name: (4-dimethylaminophenyl)methyl-[(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-6-methyl-heptyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(3R)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-6-methyl-heptyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(3R)-3-[(4S)-2,2-dimethyl-4-oxanyl]-6-methylheptyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-6-methylheptyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[(3R)-3-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-6-methyl-heptyl]ammonium Formula: C24H43N2O+ MolecularWeight: 375.61102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42N2O/c1-19(2)7-10-21(22-14-16-27-24(3,4)17-22)13-15-25-18-20-8-11-23(12-9-20)26(5)6/h8-9,11-12,19,21-22,25H,7,10,13-18H2,1-6H3/p+1/t21-,22+/m1/s1