[1-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [1-[2-(3-methyl-4-propan-2-yl-phenoxy)ethyl]piperidin-1-ium-4-yl]methylazanium Openeye Name: [1-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]piperidin-1-ium-4-yl]methylammonium CAS Name: [1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-4-piperidin-1-iumyl]methylammonium IUPAC Name: [1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidin-1-ium-4-yl]methylazanium Traditional Name: [1-[2-(4-isopropyl-3-methyl-phenoxy)ethyl]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=CC(=C1)OCC[NH+]2CCC(CC2)C[NH3+])C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O/c1-14(2)18-5-4-17(12-15(18)3)21-11-10-20-8-6-16(13-19)7-9-20/h4-5,12,14,16H,6-11,13,19H2,1-3H3/p+2