[1-[3-(2,3,5-trimethylphenoxy)propyl]piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [1-[3-(2,3,5-trimethylphenoxy)propyl]piperidin-1-ium-4-yl]methylazanium Openeye Name: [1-[3-(2,3,5-trimethylphenoxy)propyl]piperidin-1-ium-4-yl]methylammonium CAS Name: [1-[3-(2,3,5-trimethylphenoxy)propyl]-4-piperidin-1-iumyl]methylammonium IUPAC Name: [1-[3-(2,3,5-trimethylphenoxy)propyl]piperidin-1-ium-4-yl]methylazanium Traditional Name: [1-[3-(2,3,5-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=CC(=C(C(=C1)OCCC[NH+]2CCC(CC2)C[NH3+])C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O/c1-14-11-15(2)16(3)18(12-14)21-10-4-7-20-8-5-17(13-19)6-9-20/h11-12,17H,4-10,13,19H2,1-3H3/p+2