[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone Openeye Name: [(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(1-piperidyl)methanone CAS Name: [(3S)-1-[(2-ethoxyphenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone Traditional Name: [(3S)-1-(2-ethoxybenzyl)piperidin-1-ium-3-yl]-piperidino-methanone Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)N3CCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)C(=O)N3CCCCC3

InChI

InChI=1S/C20H30N2O2/c1-2-24-19-11-5-4-9-17(19)15-21-12-8-10-18(16-21)20(23)22-13-6-3-7-14-22/h4-5,9,11,18H,2-3,6-8,10,12-16H2,1H3/p+1/t18-/m0/s1