(3S)-1-[4-(2-ethylphenoxy)butyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[4-(2-ethylphenoxy)butyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[4-(2-ethylphenoxy)butyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[4-(2-ethylphenoxy)butyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[4-(2-ethylphenoxy)butyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[4-(2-ethylphenoxy)butyl]-3-methyl-piperidin-1-ium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OCCCC[NH+]2CCCC(C2)C

Isomeric SMILES

CCC1=CC=CC=C1OCCCC[NH+]2CCC[C@@H](C2)C

InChI

InChI=1S/C18H29NO/c1-3-17-10-4-5-11-18(17)20-14-7-6-12-19-13-8-9-16(2)15-19/h4-5,10-11,16H,3,6-9,12-15H2,1-2H3/p+1/t16-/m0/s1