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ethyl 1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carboxylate

ethyl 1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name:ethyl 1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carboxylate
Openeye Name:ethyl 1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-carboxylate
CAS Name:1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester
IUPAC Name:ethyl 1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-carboxylate
Traditional Name:1-(4-isopropylbenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester
Formula: C18H28NO2+
MolecularWeight: 290.42042
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)C


Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C(C)C


InChI

InChI=1S/C18H27NO2/c1-4-21-18(20)17-9-11-19(12-10-17)13-15-5-7-16(8-6-15)14(2)3/h5-8,14,17H,4,9-13H2,1-3H3/p+1


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