[(3S)-3-(2-methoxy-5-methyl-phenyl)-3-piperidin-1-ium-1-yl-propyl]azanium

Systemtic Name: [(3S)-3-(2-methoxy-5-methyl-phenyl)-3-piperidin-1-ium-1-yl-propyl]azanium Openeye Name: [(3S)-3-(2-methoxy-5-methyl-phenyl)-3-piperidin-1-ium-1-yl-propyl]ammonium CAS Name: [(3S)-3-(2-methoxy-5-methylphenyl)-3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(3S)-3-(2-methoxy-5-methylphenyl)-3-piperidin-1-ium-1-ylpropyl]azanium Traditional Name: [(3S)-3-(2-methoxy-5-methyl-phenyl)-3-piperidin-1-ium-1-yl-propyl]ammonium Formula: C16H28N2O+2 MolecularWeight: 264.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(CC[NH3+])[NH+]2CCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](CC[NH3+])[NH+]2CCCCC2

InChI

InChI=1S/C16H26N2O/c1-13-6-7-16(19-2)14(12-13)15(8-9-17)18-10-4-3-5-11-18/h6-7,12,15H,3-5,8-11,17H2,1-2H3/p+2/t15-/m0/s1