ethyl 4-[(3S)-3-phenylazanylpiperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-phenylazanylpiperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-anilinopiperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-anilino-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-anilinopiperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-anilinopiperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)NC3=CC=CC=C3

InChI

InChI=1S/C19H29N3O2/c1-2-24-19(23)21-13-10-18(11-14-21)22-12-6-9-17(15-22)20-16-7-4-3-5-8-16/h3-5,7-8,17-18,20H,2,6,9-15H2,1H3/p+1/t17-/m0/s1