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

Systemtic Name: [1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Openeye Name: [1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methyl-1-piperidyl]methanone CAS Name: [1-[(2-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-[(3S)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Traditional Name: [1-(2-ethoxybenzyl)piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidino]methanone Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N3CCCC(C3)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N3CCC[C@@H](C3)C

InChI

InChI=1S/C21H32N2O2/c1-3-25-20-9-5-4-8-19(20)16-22-13-10-18(11-14-22)21(24)23-12-6-7-17(2)15-23/h4-5,8-9,17-18H,3,6-7,10-16H2,1-2H3/p+1/t17-/m0/s1