[(3S)-4-(4-chloranyl-3,5-dimethyl-phenoxy)-3-piperidin-1-yl-butyl]azanium

Systemtic Name: [(3S)-4-(4-chloranyl-3,5-dimethyl-phenoxy)-3-piperidin-1-yl-butyl]azanium Openeye Name: [(3S)-4-(4-chloro-3,5-dimethyl-phenoxy)-3-(1-piperidyl)butyl]ammonium CAS Name: [(3S)-4-(4-chloro-3,5-dimethylphenoxy)-3-(1-piperidinyl)butyl]ammonium IUPAC Name: [(3S)-4-(4-chloro-3,5-dimethylphenoxy)-3-piperidin-1-ylbutyl]azanium Traditional Name: [(3S)-4-(4-chloro-3,5-dimethyl-phenoxy)-3-piperidino-butyl]ammonium Formula: C17H28ClN2O+ MolecularWeight: 311.87002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(CC[NH3+])N2CCCCC2

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC[C@H](CC[NH3+])N2CCCCC2

InChI

InChI=1S/C17H27ClN2O/c1-13-10-16(11-14(2)17(13)18)21-12-15(6-7-19)20-8-4-3-5-9-20/h10-11,15H,3-9,12,19H2,1-2H3/p+1/t15-/m0/s1