[(3S)-3-piperidin-1-yl-4-(2,3,6-trimethylphenoxy)butyl]azanium

Systemtic Name: [(3S)-3-piperidin-1-yl-4-(2,3,6-trimethylphenoxy)butyl]azanium Openeye Name: [(3S)-3-(1-piperidyl)-4-(2,3,6-trimethylphenoxy)butyl]ammonium CAS Name: [(3S)-3-(1-piperidinyl)-4-(2,3,6-trimethylphenoxy)butyl]ammonium IUPAC Name: [(3S)-3-piperidin-1-yl-4-(2,3,6-trimethylphenoxy)butyl]azanium Traditional Name: [(3S)-3-piperidino-4-(2,3,6-trimethylphenoxy)butyl]ammonium Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O/c1-14-7-8-15(2)18(16(14)3)21-13-17(9-10-19)20-11-5-4-6-12-20/h7-8,17H,4-6,9-13,19H2,1-3H3/p+1/t17-/m0/s1