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

Systemtic Name: [(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[(2-ethoxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-(2-ethoxybenzyl)piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27NO3/c1-3-26-21-12-5-4-8-18(21)15-23-13-7-10-19(16-23)22(24)17-9-6-11-20(14-17)25-2/h4-6,8-9,11-12,14,19H,3,7,10,13,15-16H2,1-2H3/p+1/t19-/m0/s1