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

Systemtic Name: ethyl 4-[(3S)-1-[2-(1-methylpiperidin-1-ium-4-yl)ethanoyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[2-(1-methylpiperidin-1-ium-4-yl)acetyl]-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[2-(1-methyl-4-piperidin-1-iumyl)-1-oxoethyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[2-(1-methylpiperidin-1-ium-4-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[2-(1-methylpiperidin-1-ium-4-yl)acetyl]-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H37N4O3+ MolecularWeight: 381.53278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)C(=O)CC3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCCN(C2)C(=O)CC3CC[NH+](CC3)C

InChI

InChI=1S/C20H36N4O3/c1-3-27-20(26)23-13-11-22(12-14-23)18-5-4-8-24(16-18)19(25)15-17-6-9-21(2)10-7-17/h17-18H,3-16H2,1-2H3/p+1/t18-/m0/s1