tert-butyl 2-[2-(4-carbamimidoyl-1-phenyl-piperidin-4-yl)-1-methyl-piperidin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-(4-carbamimidoyl-1-phenyl-piperidin-4-yl)-1-methyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-(4-carbamimidoyl-1-phenyl-4-piperidyl)-1-methyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[2-(4-carbamimidoyl-1-phenyl-4-piperidinyl)-1-methyl-1-piperidin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(4-carbamimidoyl-1-phenylpiperidin-4-yl)-1-methylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[2-(4-amidino-1-phenyl-4-piperidyl)-1-methyl-piperidin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C24H39N4O2+ MolecularWeight: 415.59206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[N+]1(CCCCC1C2(CCN(CC2)C3=CC=CC=C3)C(=N)N)C

Isomeric SMILES

CC(C)(C)OC(=O)C[N+]1(CCCCC1C2(CCN(CC2)C3=CC=CC=C3)C(=N)N)C

InChI

InChI=1S/C24H39N4O2/c1-23(2,3)30-21(29)18-28(4)17-9-8-12-20(28)24(22(25)26)13-15-27(16-14-24)19-10-6-5-7-11-19/h5-7,10-11,20H,8-9,12-18H2,1-4H3,(H3,25,26)/q+1