1-[(4-tert-butylphenyl)methyl]-4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-ium

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-ium Openeye Name: 1-[(4-tert-butylphenyl)methyl]-4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-ium CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-ium IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-ium Traditional Name: 1-(4-tert-butylbenzyl)-4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-ium Formula: C28H34ClN2+ MolecularWeight: 434.03596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3/p+1/t27-/m1/s1