tert-butyl 1-(1,7-naphthyridin-8-yl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(1,7-naphthyridin-8-yl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(1,7-naphthyridin-8-yl)piperazin-1-ium-1-carboxylate CAS Name: 1-(1,7-naphthyridin-8-yl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(1,7-naphthyridin-8-yl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(1,7-naphthyridin-8-yl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=NC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=NC=CC3=C2N=CC=C3

InChI

InChI=1S/C17H23N4O2/c1-17(2,3)23-16(22)21(11-9-18-10-12-21)15-14-13(6-8-20-15)5-4-7-19-14/h4-8,18H,9-12H2,1-3H3/q+1