[4-[(3S)-1-ethylpiperidin-1-ium-3-yl]oxyphenyl]methylazanium

Systemtic Name: [4-[(3S)-1-ethylpiperidin-1-ium-3-yl]oxyphenyl]methylazanium Openeye Name: [4-[(3S)-1-ethylpiperidin-1-ium-3-yl]oxyphenyl]methylammonium CAS Name: [4-[[(3S)-1-ethyl-3-piperidin-1-iumyl]oxy]phenyl]methylammonium IUPAC Name: [4-[(3S)-1-ethylpiperidin-1-ium-3-yl]oxyphenyl]methylazanium Traditional Name: [4-[(3S)-1-ethylpiperidin-1-ium-3-yl]oxybenzyl]ammonium Formula: C14H24N2O+2 MolecularWeight: 236.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)OC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

CC[NH+]1CCC[C@@H](C1)OC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C14H22N2O/c1-2-16-9-3-4-14(11-16)17-13-7-5-12(10-15)6-8-13/h5-8,14H,2-4,9-11,15H2,1H3/p+2/t14-/m0/s1