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

Systemtic Name: [1-[3-(4-chloranyl-3-methyl-phenoxy)propyl]piperidin-1-ium-4-yl]methylazanium Openeye Name: [1-[3-(4-chloro-3-methyl-phenoxy)propyl]piperidin-1-ium-4-yl]methylammonium CAS Name: [1-[3-(4-chloro-3-methylphenoxy)propyl]-4-piperidin-1-iumyl]methylammonium IUPAC Name: [1-[3-(4-chloro-3-methylphenoxy)propyl]piperidin-1-ium-4-yl]methylazanium Traditional Name: [1-[3-(4-chloro-3-methyl-phenoxy)propyl]piperidin-1-ium-4-yl]methylammonium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN2O/c1-13-11-15(3-4-16(13)17)20-10-2-7-19-8-5-14(12-18)6-9-19/h3-4,11,14H,2,5-10,12,18H2,1H3/p+2