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

Systemtic Name: [1-[3-(3-methyl-4-propan-2-yl-phenoxy)propyl]piperidin-1-ium-4-yl]methylazanium Openeye Name: [1-[3-(4-isopropyl-3-methyl-phenoxy)propyl]piperidin-1-ium-4-yl]methylammonium CAS Name: [1-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]-4-piperidin-1-iumyl]methylammonium IUPAC Name: [1-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]piperidin-1-ium-4-yl]methylazanium Traditional Name: [1-[3-(4-isopropyl-3-methyl-phenoxy)propyl]piperidin-1-ium-4-yl]methylammonium Formula: C19H34N2O+2 MolecularWeight: 306.48606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O/c1-15(2)19-6-5-18(13-16(19)3)22-12-4-9-21-10-7-17(14-20)8-11-21/h5-6,13,15,17H,4,7-12,14,20H2,1-3H3/p+2