tert-butyl 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-methyl-1-piperidin-1-iumyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-methylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-(4-amidinophenyl)piperazino]-1-methyl-piperidin-1-ium-1-yl]acetic acid tert-butyl ester Formula: C23H38N5O2+ MolecularWeight: 416.58012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[N+]1(CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CC(C)(C)OC(=O)C[N+]1(CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C23H38N5O2/c1-23(2,3)30-21(29)17-28(4)15-9-20(10-16-28)27-13-11-26(12-14-27)19-7-5-18(6-8-19)22(24)25/h5-8,20H,9-17H2,1-4H3,(H3,24,25)/q+1