ethyl 4-(3-azanyl-1H-isoindol-2-ium-2-yl)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(3-azanyl-1H-isoindol-2-ium-2-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-(3-amino-1H-isoindol-2-ium-2-yl)piperidine-1-carboxylate CAS Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-amino-1H-isoindol-2-ium-2-yl)piperidine-1-carboxylate Traditional Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)piperidine-1-carboxylic acid ethyl ester Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C16H21N3O2/c1-2-21-16(20)18-9-7-13(8-10-18)19-11-12-5-3-4-6-14(12)15(19)17/h3-6,13,17H,2,7-11H2,1H3/p+1