tert-butyl (3S)-3-(3-methoxyphenyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(3-methoxyphenyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (3S)-3-(3-methoxyphenyl)piperazin-4-ium-1-carboxylate CAS Name: (3S)-3-(3-methoxyphenyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(3-methoxyphenyl)piperazin-4-ium-1-carboxylate Traditional Name: (3S)-3-(3-methoxyphenyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH2+]C(C1)C2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH2+][C@H](C1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-9-8-17-14(11-18)12-6-5-7-13(10-12)20-4/h5-7,10,14,17H,8-9,11H2,1-4H3/p+1/t14-/m1/s1