[1-[3-(2,3,6-trimethylphenoxy)propyl]piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [1-[3-(2,3,6-trimethylphenoxy)propyl]piperidin-1-ium-4-yl]methylazanium Openeye Name: [1-[3-(2,3,6-trimethylphenoxy)propyl]piperidin-1-ium-4-yl]methylammonium CAS Name: [1-[3-(2,3,6-trimethylphenoxy)propyl]-4-piperidin-1-iumyl]methylammonium IUPAC Name: [1-[3-(2,3,6-trimethylphenoxy)propyl]piperidin-1-ium-4-yl]methylazanium Traditional Name: [1-[3-(2,3,6-trimethylphenoxy)propyl]piperidin-1-ium-4-yl]methylammonium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCCC[NH+]2CCC(CC2)C[NH3+])C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCCC[NH+]2CCC(CC2)C[NH3+])C

InChI

InChI=1S/C18H30N2O/c1-14-5-6-15(2)18(16(14)3)21-12-4-9-20-10-7-17(13-19)8-11-20/h5-6,17H,4,7-13,19H2,1-3H3/p+2