ethyl 4-[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-(2-benzofuranylmethyl)-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(benzofuran-2-ylmethyl)piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H29N3O3/c1-2-26-21(25)24-12-10-23(11-13-24)18-7-5-9-22(15-18)16-19-14-17-6-3-4-8-20(17)27-19/h3-4,6,8,14,18H,2,5,7,9-13,15-16H2,1H3/p+1/t18-/m0/s1