[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone

Systemtic Name: [(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone CAS Name: [(3S)-1-[(4-ethoxyphenyl)methyl]-3-piperidin-1-iumyl]-(2-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone Traditional Name: [(3S)-1-(4-ethoxybenzyl)piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)C3=CC=CC=C3OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H27NO3/c1-3-26-19-12-10-17(11-13-19)15-23-14-6-7-18(16-23)22(24)20-8-4-5-9-21(20)25-2/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3/p+1/t18-/m0/s1