2-piperidin-1-ium-1-ylethyl 2-[(5R,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 2-[(5R,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 2-[(5R,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5R,7R)-3-bromo-1-adamantyl]acetic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 2-[(5R,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5R,7R)-3-bromo-1-adamantyl]acetic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C19H31BrNO2+ MolecularWeight: 385.35894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)CC23C[C@H]4C[C@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C19H30BrNO2/c20-19-11-15-8-16(12-19)10-18(9-15,14-19)13-17(22)23-7-6-21-4-2-1-3-5-21/h15-16H,1-14H2/p+1/t15-,16-,18?,19?/m1/s1