tert-butyl N-[4-oxidanylidene-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]butyl]carbamate

Systemtic Name: tert-butyl N-[4-oxidanylidene-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]butyl]carbamate Openeye Name: tert-butyl N-[4-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-4-oxo-butyl]carbamate CAS Name: N-[4-oxo-4-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-oxo-4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]butyl]carbamate Traditional Name: N-[4-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C23H38N3O3+ MolecularWeight: 404.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C23H37N3O3/c1-18(2)20-10-8-19(9-11-20)17-25-13-15-26(16-14-25)21(27)7-6-12-24-22(28)29-23(3,4)5/h8-11,18H,6-7,12-17H2,1-5H3,(H,24,28)/p+1