[1-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [1-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]piperidin-1-ium-4-yl]methylazanium Openeye Name: [1-[3-(4-chloro-3,5-dimethyl-phenoxy)propyl]piperidin-1-ium-4-yl]methylammonium CAS Name: [1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-piperidin-1-iumyl]methylammonium IUPAC Name: [1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]piperidin-1-ium-4-yl]methylazanium Traditional Name: [1-[3-(4-chloro-3,5-dimethyl-phenoxy)propyl]piperidin-1-ium-4-yl]methylammonium Formula: C17H29ClN2O+2 MolecularWeight: 312.87796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCC[NH+]2CCC(CC2)C[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCC[NH+]2CCC(CC2)C[NH3+]

InChI

InChI=1S/C17H27ClN2O/c1-13-10-16(11-14(2)17(13)18)21-9-3-6-20-7-4-15(12-19)5-8-20/h10-11,15H,3-9,12,19H2,1-2H3/p+2