[(3S)-4-(2-chloranyl-5-methyl-phenoxy)-3-piperidin-1-yl-butyl]azanium

Systemtic Name: [(3S)-4-(2-chloranyl-5-methyl-phenoxy)-3-piperidin-1-yl-butyl]azanium Openeye Name: [(3S)-4-(2-chloro-5-methyl-phenoxy)-3-(1-piperidyl)butyl]ammonium CAS Name: [(3S)-4-(2-chloro-5-methylphenoxy)-3-(1-piperidinyl)butyl]ammonium IUPAC Name: [(3S)-4-(2-chloro-5-methylphenoxy)-3-piperidin-1-ylbutyl]azanium Traditional Name: [(3S)-4-(2-chloro-5-methyl-phenoxy)-3-piperidino-butyl]ammonium Formula: C16H26ClN2O+ MolecularWeight: 297.84344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(CC[NH3+])N2CCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC[C@H](CC[NH3+])N2CCCCC2

InChI

InChI=1S/C16H25ClN2O/c1-13-5-6-15(17)16(11-13)20-12-14(7-8-18)19-9-3-2-4-10-19/h5-6,11,14H,2-4,7-10,12,18H2,1H3/p+1/t14-/m0/s1