[(3S)-4-(2,3-dimethylphenoxy)-3-piperidin-1-yl-butyl]azanium

Systemtic Name: [(3S)-4-(2,3-dimethylphenoxy)-3-piperidin-1-yl-butyl]azanium Openeye Name: [(3S)-4-(2,3-dimethylphenoxy)-3-(1-piperidyl)butyl]ammonium CAS Name: [(3S)-4-(2,3-dimethylphenoxy)-3-(1-piperidinyl)butyl]ammonium IUPAC Name: [(3S)-4-(2,3-dimethylphenoxy)-3-piperidin-1-ylbutyl]azanium Traditional Name: [(3S)-4-(2,3-dimethylphenoxy)-3-piperidino-butyl]ammonium Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-14-7-6-8-17(15(14)2)20-13-16(9-10-18)19-11-4-3-5-12-19/h6-8,16H,3-5,9-13,18H2,1-2H3/p+1/t16-/m0/s1