ethyl 4-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H30N3O3+ MolecularWeight: 312.4277

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC[NH+]2CCCC(C2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H29N3O3/c1-3-22-16(21)19-11-9-18(10-12-19)15(20)6-8-17-7-4-5-14(2)13-17/h14H,3-13H2,1-2H3/p+1/t14-/m0/s1