2-[(4-dimethylaminophenyl)methylamino]ethyl-[(4S)-2,2-dimethyloxan-4-yl]azanium

Systemtic Name: 2-[(4-dimethylaminophenyl)methylamino]ethyl-[(4S)-2,2-dimethyloxan-4-yl]azanium Openeye Name: 2-[(4-dimethylaminophenyl)methylamino]ethyl-[(4S)-2,2-dimethyltetrahydropyran-4-yl]ammonium CAS Name: 2-[(4-dimethylaminophenyl)methylamino]ethyl-[(4S)-2,2-dimethyl-4-oxanyl]ammonium IUPAC Name: 2-[(4-dimethylaminophenyl)methylamino]ethyl-[(4S)-2,2-dimethyloxan-4-yl]azanium Traditional Name: 2-[[4-(dimethylamino)benzyl]amino]ethyl-[(4S)-2,2-dimethyltetrahydropyran-4-yl]ammonium Formula: C18H32N3O+ MolecularWeight: 306.46618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)[NH2+]CCNCC2=CC=C(C=C2)N(C)C)C

Isomeric SMILES

CC1(C[C@H](CCO1)[NH2+]CCNCC2=CC=C(C=C2)N(C)C)C

InChI

InChI=1S/C18H31N3O/c1-18(2)13-16(9-12-22-18)20-11-10-19-14-15-5-7-17(8-6-15)21(3)4/h5-8,16,19-20H,9-14H2,1-4H3/p+1/t16-/m0/s1