ethyl 1-(oxan-4-yl)-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(oxan-4-yl)-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-1-tetrahydropyran-4-yl-piperidin-1-ium-4-carboxylate CAS Name: 1-(4-oxanyl)-4-(3-phenylpropyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(oxan-4-yl)-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(3-phenylpropyl)-1-tetrahydropyran-4-yl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H34NO3+ MolecularWeight: 360.51026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCOCC2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CCOCC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H33NO3/c1-2-26-21(24)22(12-6-9-19-7-4-3-5-8-19)13-15-23(16-14-22)20-10-17-25-18-11-20/h3-5,7-8,20H,2,6,9-18H2,1H3/p+1