tert-butyl 1-(5-azanyl-2-methoxy-phenyl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(5-azanyl-2-methoxy-phenyl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(5-amino-2-methoxy-phenyl)piperazin-1-ium-1-carboxylate CAS Name: 1-(5-amino-2-methoxyphenyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(5-amino-2-methoxyphenyl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(5-amino-2-methoxy-phenyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C(C=CC(=C2)N)OC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C(C=CC(=C2)N)OC

InChI

InChI=1S/C16H26N3O3/c1-16(2,3)22-15(20)19(9-7-18-8-10-19)13-11-12(17)5-6-14(13)21-4/h5-6,11,18H,7-10,17H2,1-4H3/q+1